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98-86-2

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98-86-2 Usage

Safety Profile

Poison by intraperitoneal andsubcutaneous routes. Moderately toxic by ingestion. A skinand severe eye irritant. Mutation data reported. Narcotic inhigh concentration. A hypnotic. Flammable liquid. To fightfire, use foam, CO2, dry chemical. When heated

Check Digit Verification of cas no

The CAS Registry Mumber 98-86-2 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 8 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 98-86:
(4*9)+(3*8)+(2*8)+(1*6)=82
82 % 10 = 2
So 98-86-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

98-86-2 Well-known Company Product Price

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  • Alfa Aesar

  • (A12727)  Acetophenone, 99%   

  • 98-86-2

  • 500ml

  • 155.0CNY

  • Detail
  • Alfa Aesar

  • (A12727)  Acetophenone, 99%   

  • 98-86-2

  • 2500ml

  • 403.0CNY

  • Detail
  • Alfa Aesar

  • (A12727)  Acetophenone, 99%   

  • 98-86-2

  • 10000ml

  • 1420.0CNY

  • Detail
  • Sigma-Aldrich

  • (63634)  Acetophenone  TraceCERT®, certified reference material

  • 98-86-2

  • 63634-50MG

  • 766.35CNY

  • Detail
  • Sigma-Aldrich

  • (00790)  Acetophenone  puriss. p.a., ≥99.0% (GC)

  • 98-86-2

  • 00790-250ML

  • 769.86CNY

  • Detail
  • Sigma-Aldrich

  • (42163)  Acetophenone  analytical standard

  • 98-86-2

  • 42163-1ML-F

  • 255.06CNY

  • Detail
  • Sigma-Aldrich

  • (42163)  Acetophenone  analytical standard

  • 98-86-2

  • 42163-5ML-F

  • 993.33CNY

  • Detail

98-86-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name acetophenone

1.2 Other means of identification

Product number -
Other names Ethanone,1-phenyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Acetophenone is used in perfumery as a fragrance ingredient in soaps, detergents, creams, lotions, and perfumes; as a flavoring agent in foods, nonalcoholic beverages, and tobacco; as a specialty solvent for plastics and resins; as a catalyst for the polymerization of olefins; and in organic syntheses as a photosensitizer.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:98-86-2 SDS

98-86-2Synthetic route

styrene
292638-84-7

styrene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N-dimethylpyrrolidinium formate; dihydrogen peroxide; palladium dichloride In water at 60℃; for 3h; Wacker oxidation;100%
With tert.-butylhydroperoxide; C21H19N5Pd(2+)*2BF4(1-) In decane; acetonitrile at 45℃; for 12h; Kinetics; Wacker Oxidation;100%
With water; oxygen In methanol; dimethyl sulfoxide at 80℃; under 1520.1 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Solvent; Pressure; Wacker Oxidation; Autoclave;99%
1-chlorostyrene
618-34-8

1-chlorostyrene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With iron(III) chloride; air; water; 1,2-dichloro-ethane at 75℃; for 96h; regioselective reaction;100%
With hydrogenchloride
With sulfuric acid at 60℃;
ethylbenzene
100-41-4

ethylbenzene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; for 16h;100%
With potassium bromate; cerium(IV) oxide In 1,4-dioxane; water; acetic acid at 95℃; for 1h;100%
With cerium(IV) triflate; water In acetonitrile at 20℃; for 19.5h;99.7%
1-Phenylethanol
98-85-1, 13323-81-4

1-Phenylethanol

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With acetone; zirconic acid at 150℃;100%
With silica gel; copper(II) nitrate In tetrachloromethane for 0.25h; Zn(NO3)2;100%
With tetrakis(pyridine)silver dichromate In benzene for 0.5h; Heating;100%
rac-methylbenzylamine
618-36-0

rac-methylbenzylamine

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With 4-phenylnaphthalene-1,2-dione In acetonitrile at 80℃; Temperature; Reagent/catalyst;100%
With iodine; mercury(II) oxide In dichloromethane at 20℃; for 1h; Oxidation;98%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccasefrom Trametes versicolor; oxygen In water at 30℃; pH=4.5; Enzymatic reaction;97%
acetyl chloride
75-36-5

acetyl chloride

benzene
71-43-2

benzene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Friedel-Crafts Acylation; Inert atmosphere;100%
With iron(III) oxide at 20℃; for 0.166667h; Friedel Crafts acylation; regioselective reaction;98%
With zinc at 60 - 62℃; for 0.00833333h; Friedel-Crafts acylation; microwave irradiation;95%
phenylacetylene
536-74-3

phenylacetylene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With mercuric triflate; water; tetramethylurea In dichloromethane; acetonitrile at 20℃; for 12h;100%
With Au nanoparticles covalently bonded to HS/SO3H functionalized periodic mesoporous organosilica (Et) at 70℃; for 1.5h; neat (no solvent);100%
With water at 59.84℃; for 24h; Ionic liquid;100%
isopropenylbenzene
98-83-9

isopropenylbenzene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With oxygen; 1,4-dimethoxybezene In acetonitrile for 12h; Mechanism; Ambient temperature; Irradiation; further substrates;100%
With dihydrogen peroxide In water at 75℃; for 6h;100%
With 1H-imidazole; sodium periodate; MnCl-TPP-(PEO750)4 In water; acetonitrile at 20℃; for 24h;99%
2-methyl-2-phenyl-[1,3]dithiane
6331-22-2

2-methyl-2-phenyl-[1,3]dithiane

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With dihydrogen peroxide; iodine; sodium dodecyl-sulfate In water at 20℃; for 0.5h; Micellar solution;100%
With silica gel; copper(II) nitrate In tetrachloromethane for 0.416667h; Ambient temperature;98%
With ammonium persulfate; Montmorillonite K-10 clay for 0.0333333h; microwave irradiation;98%
acetophenone oxime
613-91-2

acetophenone oxime

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With 2,2'-bipyridylchromium peroxide In benzene for 0.25h; Heating;100%
With 2,2'-bipyridylchromium peroxide In benzene for 0.25h; Product distribution; Heating; effect of various chromium(VI) based oxidants;100%
With 1-benzyl-4-aza-1-azoniabiyclo<2.2.2>octane peroxodisulfate In acetonitrile for 0.25h; Heating;100%
4-Iodoacetophenone
13329-40-3

4-Iodoacetophenone

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 36h; Inert atmosphere;100%
With triethylamine In toluene at 20℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;83.4%
With tris-(trimethylsilyl)silane In acetonitrile Schlenk technique; Inert atmosphere; Irradiation;80%
iodoacetophenone
4636-16-2

iodoacetophenone

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; meso-5,10,15,20-tetraphenyl-21-monothiaporphyrin; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 22℃; for 18h; Irradiation;100%
With bismuth(III) chloride; sodium tetrahydroborate In tetrahydrofuran for 4h; Ambient temperature;94.2%
With indium; water for 3h; ultrasound;90%
2-Phenylpropanal
34713-70-7

2-Phenylpropanal

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 24h; Ambient temperature;100%
With sodium hydride In diethyl ether at 25℃; for 1h; Temperature; Reagent/catalyst;98%
With pyridine; oxygen; triethylamine; pyridine; compound with copper (II)-nitrate In methanol at 25℃; under 1748 Torr;96.6%
acetophenonazine
729-43-1

acetophenonazine

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 20℃; for 48h;100%
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 65℃; for 2h;100%
With dihydrogen peroxide; 2,2‘-diselenobis(N-phenylbenzamide) In methanol; water at 20℃; for 20h;100%
1-phenyl-1-trimethylsilyloxyethane
14856-75-8

1-phenyl-1-trimethylsilyloxyethane

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With benzyltriphenylphosphonium chlorate; aluminium trichloride In acetonitrile for 0.7h; Heating;100%
With nitrogen dioxide at 20℃; for 0.5h;100%
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.05h; microwave irradiation;99%
α,β,β-trimethylstyrene
769-57-3

α,β,β-trimethylstyrene

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With sodium nitrite In water; acetic acid 1.) 0 deg C 2.) 60 deg C, 0,5 h;100%
acetophenone dimethyl acetal
4316-35-2

acetophenone dimethyl acetal

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With water; Nafion-H In acetone for 0.5h;100%
With Montmorillonite K10 In dichloromethane for 0.0833333h; Ambient temperature;100%
With water at 80℃; for 2h;100%
1,1,-diethoxy-1-phenylethane
4316-37-4

1,1,-diethoxy-1-phenylethane

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With water at 80℃; for 2h;100%
With sodium perborate In acetic acid at 25℃; for 0.5h;86%
perchloric acid In ethanol; water at 25 - 30℃; for 0.416667h;85%
With aluminium(III) iodide In acetonitrile; benzene for 0.166667h; Ambient temperature;86 % Chromat.
2,5-diphenyl-2,5-hexanediol
24434-16-0

2,5-diphenyl-2,5-hexanediol

A

Succinimide
123-56-8

Succinimide

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N-iodo-succinimide In benzene for 6h; Product distribution; Irradiation; varying reaction time;A 99%
B 100%
iodoacetophenone
4636-16-2

iodoacetophenone

Benzeneselenol
645-96-5

Benzeneselenol

A

diphenyl diselenide
1666-13-3

diphenyl diselenide

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With potassium carbonate In ethanol for 0.25h; Product distribution; Ambient temperature; other iodomethyl ketones;A 100%
B 100%
ethyl 3-oxo-3-phenylpropionate
94-02-0

ethyl 3-oxo-3-phenylpropionate

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With silver tetrafluoroborate; water In acetic acid at 110℃; for 10h; regioselective reaction;100%
In water; N,N-dimethyl-formamide at 160℃; for 0.05h; microwave irradiation;82%
With bis(cyclopentadienyl)titanium dichloride; isopropylmagnesium bromide In tetrahydrofuran; diethyl ether for 4h; Ambient temperature;63%
With magnesium chloride In dimethyl sulfoxide at 150℃; for 1h; Yield given;
Multi-step reaction with 2 steps
1.1: potassium hydroxide / water / 24.5 h / 20 °C
1.2: 0 °C
2.1: dichloromethane / 9 h / 25 °C
View Scheme
2,3,3-trimethyl-1-phenacylindoline
88920-01-8

2,3,3-trimethyl-1-phenacylindoline

A

2,3,3-trimethylindoleniune
1640-39-7

2,3,3-trimethylindoleniune

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
In diethyl ether for 2.75h; Irradiation;A 100%
B n/a
(1-bromoethyl)benzne
585-71-7, 38661-81-3

(1-bromoethyl)benzne

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With water; sodium hydroxide at 20℃; for 0.0833333h; Microwave irradiation;100%
With dihydrogen peroxide In ethanol for 1h; Heating;91%
With potassium chromate In dimethyl sulfoxide at 120℃; for 1h;90%
1-chloroacetophenone
532-27-4

1-chloroacetophenone

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ;;100%
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Irradiation;100%
With hydrogen iodide for 2h; Ambient temperature;100%
N-(1-phenylethylidene)phenylhydrazine
583-11-9, 59130-82-4

N-(1-phenylethylidene)phenylhydrazine

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 2.5h; Heating;100%
With benzyltriphenylphosphonium dichromate In acetonitrile for 0.25h; Oxidation; Heating;98%
With benzyltriphenylphosphonium dichromate; silica gel for 0.0666667h;98%
α-bromoacetophenone
70-11-1

α-bromoacetophenone

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 7h; Irradiation;100%
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 7h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ; other conc. of HClO4;100%
With AcrD2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Irradiation;100%
cis-Octadecen-9-saeurephenacylester
90144-64-2

cis-Octadecen-9-saeurephenacylester

A

cis-Octadecenoic acid
112-80-1

cis-Octadecenoic acid

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
mandelic acid-phenacyl ester
117356-19-1

mandelic acid-phenacyl ester

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N-dimethyl-aniline In acetonitrile for 2h; Irradiation;A 100%
B n/a
phenacyl 2-methoxyphenylacetate
132589-74-3

phenacyl 2-methoxyphenylacetate

A

2-methoxyphenylacetic acid
93-25-4

2-methoxyphenylacetic acid

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
2-oxo-2-phenylethyl 2-(tert-butoxycarbonylamino)acetate
83316-95-4

2-oxo-2-phenylethyl 2-(tert-butoxycarbonylamino)acetate

A

BOC-glycine
4530-20-5

BOC-glycine

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
benzaldehyde
100-52-7

benzaldehyde

acetophenone
98-86-2

acetophenone

benzalacetophenone
94-41-7

benzalacetophenone

Conditions
ConditionsYield
With sodium hydroxide In methanol Claisen-Schmidt Condensation; Reflux;100%
With sulfated TiO2 (5 wtpercent sulfate) for 0.0166667h; Microwave irradiation; Neat (no solvent);99.2%
With sulfated TiO2-P25 (Degussa titania) for 0.0166667h; Microwave irradiation; Neat (no solvent);99%
benzaldehyde
100-52-7

benzaldehyde

acetophenone
98-86-2

acetophenone

1,3-diphenyl-propen-3-one
614-47-1

1,3-diphenyl-propen-3-one

Conditions
ConditionsYield
With sodium hydroxide In methanol at 20℃; for 20h; Aldol Condensation;100%
With sodium hydroxide In ethanol at 20℃; for 48h; Claisen-Schmidt Condensation;99%
With sodium hydroxide In ethanol at 20℃; for 48h;99%
ethane-1,2-dithiol
540-63-6

ethane-1,2-dithiol

acetophenone
98-86-2

acetophenone

2-methyl-2-phenyl[1,3]dithiolane
5769-02-8

2-methyl-2-phenyl[1,3]dithiolane

Conditions
ConditionsYield
With perchloric acid; silica gel at 25 - 30℃; for 5h;100%
With toluene-4-sulfonic acid In benzene Heating;99%
With cobalt(II) bromide In dichloromethane for 1.25h; Ambient temperature;99%
bromoacetic acid methyl ester
96-32-2

bromoacetic acid methyl ester

acetophenone
98-86-2

acetophenone

(rac)-methyl 3-hydroxy-3-phenylbutanoate
91970-87-5

(rac)-methyl 3-hydroxy-3-phenylbutanoate

Conditions
ConditionsYield
With iodine; zinc In diethyl ether; benzene for 3h; Heating;100%
With samarium diiodide; mischmetall In tetrahydrofuran at 20℃; for 3.5h; Reformatsky reaction;54%
With zinc; benzene
Stage #1: acetophenone With cerium(III) chloride heptahydrate; zinc In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: bromoacetic acid methyl ester In tetrahydrofuran at 0 - 20℃; Inert atmosphere;
1,1-dimethylhydrazine
57-14-7

1,1-dimethylhydrazine

acetophenone
98-86-2

acetophenone

acetophenone 1,1-dimethylhydrazone
28541-43-7

acetophenone 1,1-dimethylhydrazone

Conditions
ConditionsYield
With trifluoroacetic acid In benzene Reflux; Dean-Stark;100%
With acetic acid In methanol Reflux;60%
In methanol at 20℃;31%
allyl bromide
106-95-6

allyl bromide

acetophenone
98-86-2

acetophenone

2-phenylpent-4-en-2-ol
4743-74-2

2-phenylpent-4-en-2-ol

Conditions
ConditionsYield
With ammonium acetate; zinc In tetrahydrofuran at 0℃; for 0.0166667h; Barbier reaction;100%
With ammonium chloride; zinc In tetrahydrofuran; water at 20℃; for 0.166667h; sonication;99%
With 2,4,6-trimethyl-pyridine; chloro-trimethyl-silane; bis(cyclopentadienyl)titanium (III) chloride In tetrahydrofuran at 20℃; for 6h; Barbier type allylation; Inert atmosphere;99%
3-phenyl-propenal
104-55-2

3-phenyl-propenal

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
Stage #1: acetophenone With sodium hydroxide In ethanol; water at 0 - 5℃;
Stage #2: 3-phenyl-propenal In ethanol; water
100%
With poly(N-vinylimidazole) In neat (no solvent) at 20℃; for 0.666667h; Aldol Condensation; Sonication; Green chemistry;92%
With sodium hydroxide In ethanol; water90%
4-Methylbenzyl alcohol
589-18-4

4-Methylbenzyl alcohol

acetophenone
98-86-2

acetophenone

1-phenyl-3-(4-tolyl)propan-1-one
1669-50-7

1-phenyl-3-(4-tolyl)propan-1-one

Conditions
ConditionsYield
With titanium(IV) oxide; potassium hydroxide In toluene at 100℃; for 10h; Sealed tube; Irradiation;100%
With potassium phosphate tribasic trihydrate; C39H32Cl2N5PRu In tert-Amyl alcohol at 120℃; for 4h; Inert atmosphere; Schlenk technique;94%
With dimanganese decacarbonyl; sodium hydroxide In toluene at 110℃; for 2h; Inert atmosphere; Glovebox; Sealed tube;94%
potassium cyanide
151-50-8

potassium cyanide

acetophenone
98-86-2

acetophenone

2-hydroxy-2-phenylpropionitrile
20102-12-9

2-hydroxy-2-phenylpropionitrile

Conditions
ConditionsYield
Stage #1: potassium cyanide; acetophenone With 18-crown-6 ether In dichloromethane at 20℃; for 4h;
Stage #2: With hydrogenchloride In tetrahydrofuran; dichloromethane at 0 - 20℃; for 2h;
100%
Stage #1: potassium cyanide; acetophenone With tetrachlorosilane In acetonitrile at 60 - 70℃; for 5h;
Stage #2: With sodium hydrogencarbonate In water; acetonitrile Further stages.;
82%
With hydrogenchloride
acetophenone
98-86-2

acetophenone

para-Chlorobenzyl alcohol
873-76-7

para-Chlorobenzyl alcohol

3-(4-chlorophenyl)-1-phenylpropan-1-one
5739-39-9

3-(4-chlorophenyl)-1-phenylpropan-1-one

Conditions
ConditionsYield
With titanium(IV) oxide; potassium hydroxide In toluene at 100℃; for 10h; Sealed tube; Irradiation;100%
With C27H24Cl3F6IrN2; potassium hydroxide In toluene at 130℃; for 2h;94%
With C16H14IrN2O3; caesium carbonate In tert-Amyl alcohol for 6h; Reflux;91%
acetophenone
98-86-2

acetophenone

methylamine
74-89-5

methylamine

N-(1-phenylethylidene)methanamine
6907-71-7

N-(1-phenylethylidene)methanamine

Conditions
ConditionsYield
In ethanol at 20℃; for 48h; Molecular sieve; Inert atmosphere;100%
In ethanol at 20℃; for 48h; Molecular sieve; Inert atmosphere;100%
With triethylamine In ethanol for 1h; Molecular sieve;97%
acetophenone
98-86-2

acetophenone

2-hydroxyethanethiol
60-24-2

2-hydroxyethanethiol

2-methyl-2-phenyl-[1,3]oxathiolane
5684-32-2

2-methyl-2-phenyl-[1,3]oxathiolane

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Heating;100%
With tantalum pentachloride In dichloromethane at 20℃; for 1h;93%
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 10h;90%
acetophenone
98-86-2

acetophenone

malononitrile
109-77-3

malononitrile

2-(1-phenylethylidene)propanedinitrile
5447-87-0

2-(1-phenylethylidene)propanedinitrile

Conditions
ConditionsYield
With ethylenediamine-modified poly(vinyl chloride) at 20℃; for 0.116667h; Solvent; Knoevenagel Condensation; Green chemistry;100%
With third generation polystyrene supported poly(amidoamine) dendrimer In ethanol at 50℃; for 0.5h; Knoevenagel condensation;98%
With MIL-53(Fe) metal organic framework encapsulated on silica-coated nickel ferrite magnetic nanoparticles In ethanol at 20℃; for 2h; Knoevenagel Condensation;95%
acetophenone
98-86-2

acetophenone

ethylhydrazine carboxylate
4114-31-2

ethylhydrazine carboxylate

N-ethoxycarbonyl-N'-(1-phenyl-ethylidene)-hydrazine
25445-76-5

N-ethoxycarbonyl-N'-(1-phenyl-ethylidene)-hydrazine

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating;100%
With toluene-4-sulfonic acid In benzene for 4h; Heating;100%
100%
acetophenone
98-86-2

acetophenone

benzylmagnesium chloride
6921-34-2

benzylmagnesium chloride

1,2-diphenylpropane-2-ol
5342-87-0

1,2-diphenylpropane-2-ol

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃;100%
acetophenone
98-86-2

acetophenone

trimethyl orthoformate
149-73-5

trimethyl orthoformate

acetophenone dimethyl acetal
4316-35-2

acetophenone dimethyl acetal

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol Heating;100%
With lithium tetrafluoroborate In methanol for 5h; Heating;99%
With cerium triflate In methanol at 20℃; for 0.5h;98%
acetophenone
98-86-2

acetophenone

acetophenone oxime
613-91-2

acetophenone oxime

Conditions
ConditionsYield
With acetic acid; acetone oxime at 125℃; for 2h;100%
With hydroxylamine hydrochloride100%
With hydroxylamine hydrochloride In acetonitrile at 70 - 110℃; for 15h; Solvent; Temperature; Time; chemoselective reaction;100%
acetophenone
98-86-2

acetophenone

2,3-diphenyl-2,3-butanediol
1636-34-6

2,3-diphenyl-2,3-butanediol

Conditions
ConditionsYield
With naphthalene; lithium; manganese(ll) chloride In tetrahydrofuran at 20℃; for 20h;100%
With tris(4,4'-dimethyl-2,2'bipyridine)ruthenium(II) ion; ascorbate In water for 3h; pH=12.7; Irradiation;100%
With samarium In acetonitrile at 20℃; for 0.5h;99%
acetophenone
98-86-2

acetophenone

ethylbenzene
100-41-4

ethylbenzene

Conditions
ConditionsYield
With hydrogen at 80℃; under 37503.8 Torr; for 0.5h; Autoclave; chemoselective reaction;100%
With hydrogen In ethanol at 39.84℃; under 760.051 Torr; for 5h;100%
With Pd/C; hydrogen In chloroform at 20℃; under 760.051 Torr; for 8h; Catalytic behavior;100%
acetophenone
98-86-2

acetophenone

1-Phenylethanol
98-85-1, 13323-81-4

1-Phenylethanol

Conditions
ConditionsYield
palladium on activated charcoal at 20℃; electrohydrogenation in 1 N aqeous-alcoholic NaOH;100%
With potassium hydroxide; BF4; isopropyl alcohol at 65℃; for 24h; Product distribution; variation of catalyst and reaction parameters; also with chiral complex catalyst;100%
With Triethoxysilane; cesium fluoride at 25℃; for 0.016h;100%
acetophenone
98-86-2

acetophenone

(S)-1-phenylethanol
1445-91-6

(S)-1-phenylethanol

Conditions
ConditionsYield
With carrot (Daucus carota, root); chloramphenicol In ethanol; water at 25℃; for 72h;100%
With Daucus carota root cells; chloramphenicol In water; dimethyl sulfoxide at 25℃; for 24h;100%
With borane-dimethyl sulfide complex; methyl 2-(5-chloro-2-hydroxybenzylamino)-3-methylbutanoate In tetrahydrofuran at 65℃; optical yield given as %ee; enantioselective reaction;100%
acetophenone
98-86-2

acetophenone

Acetophenone-methyl-d3
17537-31-4

Acetophenone-methyl-d3

Conditions
ConditionsYield
With 4 A molecular sieve; water-d2 at 180℃; under 9000.72 Torr; for 0.5h; microwave irradiation;100%
With pyrrolidine; water-d2 In 1,4-dioxane at 20℃; for 12h; Reagent/catalyst; Solvent;96%
With water-d2; potassium carbonate In 1,4-dioxane for 48h; Heating;93%
acetophenone
98-86-2

acetophenone

rac-1-cyclohexylethanol
1193-81-3

rac-1-cyclohexylethanol

Conditions
ConditionsYield
With hydrogen In water at 100℃; under 15001.5 Torr; for 0.333333h;100%
With ruthenium nanoparticles at 120℃; under 90009 Torr; for 2h; Ionic liquid; Autoclave;99%
With ruthenium; hydrogen In water at 30℃; under 22801.5 Torr; for 12h; Autoclave;94%

98-86-2Relevant articles and documents

Magnetic d-penicillamine-functionalized cellulose as a new heterogeneous support for cobalt(II) in green oxidation of ethylbenzene to acetophenone

Keshipour, Sajjad,Adak, Kamran

, (2017)

A new efficient heterogeneous catalyst is introduced for the oxidation of ethylbenzene. The catalyst was obtained in three steps: functionalization of cellulose with d-penicillamine, deposition of Fe3O4 nanoparticles on cellulose–d-p

Debromination of α-Bromo Ketones using Polymer-supported Triphenylphosphine

Dhuru, Sameer P.,Padiya, Kamlesh J.,Salunkhe, M. M.

, p. 56 (1998)

An effective method for the debromination of α-bromo ketones using polymer-supported triphenylphosphine is described.

Atomically dispersed cobalt on graphitic carbon nitride as a robust catalyst for selective oxidation of ethylbenzene by peroxymonosulfate

Li, Jiaquan,Zhao, Shiyong,Yang, Shi-Ze,Wang, Shaobin,Sun, Hongqi,Jiang, San Ping,Johannessen, Bernt,Liu, Shaomin

, p. 3029 - 3035 (2021)

The development of a highly efficient strategy for the activation of the C-H bond in hydrocarbons is one of the most challenging tasks facing the chemical industries. The synthesis of novel catalysts with atomically dispersed active centers is highly desi

Vinyl Triflimides—A Case of Assisted Vinyl Cation Formation

Schroeder, Sebastian,Strauch, Christina,Gaelings, Niklas,Niggemann, Meike

, p. 5119 - 5123 (2019)

A new concept for selectivity control in carbocation-driven reactions has been identified which allows for the chemo-, regio-, and stereoselective addition of nucleophiles to alkynes—assisted vinyl cation formation—enabled by a Li+-based supramolecular framework. Mechanistic analysis of a model complex (Li2NTf2+?3 H2O) confirms that solely the formation of a complex between the incoming nucleophile and the transition state of the alkyne protonation is responsible for the resulting selective N addition to the vinyl cation. Into the bargain, a general, operationally simple synthetic procedure to previously inaccessible vinyl triflimides is provided.

Origin of enantioselection in chiral alcohol oxidation catalyzed by Pd[(-)-sparteine]Cl2

Mueller, Jaime A.,Cowell, Anne,Chandler, Bert D.,Sigman, Matthew S.

, p. 14817 - 14824 (2005)

A kinetic investigation into the origin of enantioselectivity for the Pd[(-)-sparteine]Cl2-catalyzed aerobic oxidative kinetic resolution (OKR) is reported. A mechanism to account for a newly discovered chloride dissociation from Pd[(-)-sparteine]Cl2 prior to alcohol binding is proposed. The mechanism includes (1) chloride dissociation from Pd[(-)-sparteine]Cl2 to form cationic Pd(-)-sparteine]Cl, (2) alcohol binding, (3) deprotonation of Pd-bound alcohol to form a Pd-alkoxide, and (4) β-hydride elimination of Pd-alkoxide to form ketone product and a Pd-hydride. Utilizing the addition of (-)-sparteine HCl to control the [Cl -] and [H+] and the resulting derived rate law, the key microscopic kinetic and thermodynamic constants were extracted for each enantiomer of sec-phenethyl alcohol. These constants allow for the successful simulation of the oxidation rate in the presence of exogenous (-)-sparteine HCl. A rate law for oxidation of the racemic alcohol was derived that allows for the successful prediction of the experimentally measured krel values when using the extracted constants. Besides a factor of 10 difference between the relative rates of β-hydride elimination for the enantiomers, the main enhancement in enantiodetermination results from a concentration effect of (-)-sparteine HCl and the relative rates of reprotonation of the diastereomeric Pd-alkoxides.

-

Berge,Roberts

, p. 471 (1979)

-

Synthesis of new hybrid hydroquinone/cobalt schiff base catalysts: Efficient electron-transfer mediators in aerobic oxidation

Purse, Byron W.,Tran, Lien-Hoa,Piera, Julio,Akermark, Bjoern,Baeckvall, Jan-Erling

, p. 7500 - 7503 (2008)

A study was conducted to demonstrate the use of efficient electron-transfer mediators in aerobic oxidation. These electron-transfer mediators were used in aerobic oxidation for synthesizing new hybrid hydroquinone and Cobalt Schiff base catalysts. These n

Spacer-Independent Intramolecular Triplet Energy Transfer in Diketones

Wagner, Peter J.,Giri, Brij. P.,Frerking, Harlan W.,DeFrancesco, James

, p. 8326 - 8327 (1992)

-

Iridium-catalyzed B-H insertion of sulfoxonium ylides and borane adducts: A versatile platform to α-boryl carbonyls

Zhang, Shang-Shi,Xie, Hui,Shu, Bing,Che, Tong,Wang, Xiao-Tong,Peng, Dongming,Yang, Fan,Zhang, Luyong

, p. 423 - 426 (2020)

Iridium-catalyzed boron-hydrogen bond insertion reactions of trimethylamine-borane and sulfoxonium ylides have been demonstrated, furnishing α-boryl ketones in moderate to excellent yields in most cases (51 examples; up to 84%). This practical and scalable insertion reaction showed broad substrate scope, high functional-group compatibility and could be applied in late-stage modification of structurally complex drug compounds. Further synthetic applications were also demonstrated.

Synthesis of efficient and reusable catalyst of size-controlled Au nanoparticles within a porous, chelating and intelligent hydrogel for aerobic alcohol oxidation

Wang, Yao,Yan, Rui,Zhang, Jianzheng,Zhang, Wangqing

, p. 81 - 88 (2010)

Synthesis of size-controlled Au nanoparticles for aerobic alcohol oxidation within a porous, chelating and intelligent hydrogel of poly(N-isopropylacrylamide)-co-poly[2-methacrylic acid 3-(bis-carboxymethylamino)-2-hydroxypropyl ester] (PNIPAM-co-PMACHE)

Recyclable Bismuth Complex Catalyzed 1,6-Conjugate Addition of Various Nucleophiles to para-Quinone Methides: Expedient Access to Unsymmetrical Diaryl- and Triarylmethanes

Liang, Xianghao,Xu, Haiyan,Li, Hanlin,Chen, Lizhuang,Lu, Hongfei

, p. 217 - 226 (2020)

An efficient method for the 1,6-conjugate addition of para-quinone methides with readily available nucleophiles was developed. This protocol provides a straightforward access to a class of diaryl and triarylmethane derivatives with good to excellent yields in the presence of (C4H12N2)2[BiCl6]Cl·H2O. Moreover, this bismuth catalyst can be recycled for several times.

Fe3O4 nanoparticles as a new efficient co-catalyst for Pd(ii) in Wacker oxidation of styrene using H2O2 as an oxidant

Keshipour, Sajjad,Nadervand, Selda

, p. 47617 - 47620 (2015)

A new highly selective and environment-friendly Wacker oxidation process employing PdCl2/Fe3O4 nanoparticles in H2O at 100°C using H2O2 as an oxidant has been developed. This approach has some advantages such as copper free reaction conditions, green solvent, high yield, excellent selectivity and green oxidant.

Rapid determination of both the activity and enantioselectivity of ketoreductases

Truppo, Matthew D.,Escalettes, Franck,Turner, Nicholas J.

, p. 2639 - 2641 (2008)

(Chemical Equation Presented) Fast and furious: A rapid and inexpensive assay for determining both the activity and enantioselectivity of ketoreductases (KREDs) has beendeveloped (see scheme; HRP = horseradish peroxidase, ABTS = 2,2′-azino-di(3-ethyl benzthiazoline-6-sulfonic acid). This assay, which employs an enantioselective alcohol oxidase as a reporter enzyme, was used to screen a panel of 17 KREDs in only 10 min using less than 0.5 mg substrate.

Silver catalyzed proto- and sila-Nakamura-type α-vinylation of silyl enol ethers with dichloroacetylene. Divergent formation of stereochemically pure tri- and tetrasubstituted olefins

Li, Lun,Wasik, Kimberly A.,Frost, Brian J.,Geary, Laina M.

, (2020)

The silver-catalyzed reaction of silyl enol ethers with dichloroacetylene (DCA) is described. When DCA was used as a solution in diethyl ether, we found that the silyl group was transferred to the vinyl group, resulting in stereochemically pure tetrasubstituted olefins. However, when DCA was used as a solution in the more polar acetonitrile, protonation was the major pathway, and trisubstituted olefins were the dominant products.

In situ spectroscopic studies related to the mechanism of the Friedel-Crafts acetylation of benzene in ionic liquids using AlCl3 and FeCl3

Csihony, Szilard,Mehdi, Hasan,Homonnay, Zoltan,Vertes, Attila,Farkas, Oedoen,Horvath, Istvan T.

, p. 680 - 685 (2002)

Several aspects of the mechanism of the Friedel-Crafts acetylation of benzene were studied by in situ spectroscopic methods in ionic liquids, prepared from MCl3 (M = Al or Fe) and 1-butyl-3-methylimidazolium chloride ([bmim]Cl). Moessbauer measurements have revealed that the addition of FeCl3 to [bmim]Cl leads to an equilibrium mixture that contains solid FeCl3, [bmim][Fe2Cl7], and Fe2Cl6 and/or [bmim][FeCl4], depending on the molar ratio of FeCl3 and [bmim]Cl. The formation of [(CH3CO)2CHCO]+[MCl4] -, a potential side product in the Friedel-Crafts acetylation of benzene, was shown to require the presence of both the acetylium ion [CH3CO]+[MCl4]- and free acetyl chloride. We have confirmed that [(CH3CO)2CHCO]+[MCl4]- does not involve in the Friedel-Crafts acetylation of benzene. Experimental data and theoretical calculations indicate that the acetylium ion [CH3CO]+[MCl4]- is the key intermediate in the Friedel-Crafts acetylation of benzene and the reaction proceeds through an ionic mechanism.

Facile conversion of tosylhydrazones to carbonyl compounds by the potassium peroxymonosulfate-acetone system

Jung,Kim,Kim

, p. 1583 - 1587 (1992)

Tosylhydrazones of carbonyl compounds were found to be readily cleaved into the corresponding carbonyl compounds in good yields under the mild conditions by treatment with dimethyldioxirane which is generated in situ from the reaction of acetone with potassium peroxymonosulfate.

Mechanistic studies of magnetically recyclable Pd-Fe3O4 heterodimeric nanocrystal-catalyzed organic reactions

Byun, Sangmoon,Chung, Jooyoung,Kwon, Jungmin,Moon Kim

, p. 982 - 988 (2015)

Recently, we have reported several catalytic applications of new Pd-Fe3O4 heterodimeric nanocrystals as magnetically separable catalysts. Successful applications of the nanocrystals towards various useful organic reactions such as Suzuki, Heck, and Sonogashira coupling reactions, direct C-H arylation, and Wacker oxidation have been recorded. However, detailed mechanistic courses of the reactions have not been delineated, and it was not clear whether these processes proceeded through a homogeneous or heterogeneous mechanism. Here, we report detailed mechanistic investigations of the reactions employing the Pd-Fe3O4 nanoparticle catalysts. Suzuki coupling and Wacker oxidation reactions were chosen as two representative heterogeneous reactions employing the Pd-Fe3O4 catalysts, and general kinetic studies, hot filtration tests, and three-phase tests were carried out for the two reactions. The studies showed that the reactions most probably proceed via a solution-phase mechanism.

Kinetics of acetophenone reduction to (R)-1-phenylethanol by a whole-cell Pichia capsulata biocatalyst

Homola, Patrik,Kurák, Tomá?,Illeová, Viera,Polakovi?, Milan

, p. 323 - 332 (2015)

(R)-1-phenylethanol is an important substance in fragrance and flavor industry. In this work, the reduction of acetophenone to (R)-1-phenylethanol in an aqueous medium was examined using Pichia capsulata as a whole-cell biocatalyst. Progress curve and initial rate measurements were used to obtain kinetic data. The experiments were carried out at pH 5, temperature of 25 °C, and in the presence of glucose to maintain in vivo regeneration of NADH. A model of the reversible reaction kinetics considering the substrate inhibition of the forward reaction was developed. Five kinetic parameters of this model were determined by a simultaneous fit of a reaction rate dependence on substrate concentration and 18 substrate and product concentration progress curves with very good accuracy. Equilibrium constant of the reaction and equilibrium conversion of acetophenone to (R)-1-phenylethanol were 13.7 and 93%, respectively.

Transition-Metal-Free N-O Reduction of Oximes: A Modular Synthesis of Fluorinated Pyridines

Huang, Huawen,Cai, Jinhui,Xie, Hao,Tan, Jing,Li, Feifei,Deng, Guo-Jun

, p. 3743 - 3746 (2017)

An NH4I-based reductive system has been explored to promote the oxime N-O bond cleavage and thereby enable a modular synthesis of a broad range of pharmacologically significant fluorinated pyridines. Compared with traditional condensation methods for pyridine assembly, this protocol was found to be highly regio- and chemoselective and presented broad functional group tolerance.

'Amphiphilic' cleavage of γ-stannyl ketones with ATPH/RLi: Application to enone fragmentation by the conjugate addition - Cleavage sequence

Kondo, Yuichiro,Kon-i, Kana,Iwasaki, Atsuko,Ooi, Takashi,Maruoka, Keiji

, p. 414 - 416 (2000)

The use of a combined Lewis acid/base system consisting of aluminum tris(2,6-diphenylphenoxide) (ATPH) and MeLi has allowed the electrophilically activated nucleophilic ('amphiphilic') cleavage of C(α)-C(β) bonds in γ- stannyl ketones. Through combination with the conjugate addition of α- stannyl carbanion to enone, this approach constitutes a novel two-step conjugate addition-cleavage sequence that leads to functionalized ketones (see reaction).

Structure-based enzyme tailoring of 5-hydroxymethylfurfural oxidase

Dijkman, Willem P.,Binda, Claudia,Fraaije, Marco W.,Mattevi, Andrea

, p. 1833 - 1839 (2015)

5-Hydroxymethylfurfural oxidase (HMFO) is a flavin-dependent enzyme that catalyzes the oxidation of many aldehydes, primary alcohols, and thiols.The three-step conversion of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid is relevant for the industrial production of biobased polymers.The remarkable wide substrate scope of HMFO contrasts with the enzymes precision in positioning the substrate to perform catalysis.We have solved the crystal structure of HMFO at 1.6 ? resolution, which guided mutagenesis experiments to probe the role of the active-site residues in catalysis.Mutations targeting two active-site residues generated engineered forms of HMFO with promising catalytic features, namely enantioselective activities on secondary alcohols and improved 2,5-furandicarboxylic acid yields.

Hydration of phenylacetylene on sulfonated carbon materials: Active site and intrinsic catalytic activity

Yan, Pengqiang,Xie, Zailai,Tian, Siyuan,Li, Fan,Wang, Dan,Su, Dang Sheng,Qi, Wei

, p. 38150 - 38156 (2018)

A series of sulfonated carbon materials (sulfonated glucose-derived carbon, carbon nanotubes, activated carbon and ordered mesoporous carbon, denoted as Sglu, SCNT, SAC and SCMK, respectively) were synthesized and applied as acid catalysts in phenylacetyl

A highly efficient transformation from cumene to cumyl hydroperoxide via catalytic aerobic oxidation at room temperature and investigations into solvent effects, reaction networks and mechanisms

Chen, Chong,Ji, Lijun,Lu, Qiuting,Shi, Guojun,Yuan, Enxian,Zhou, Hongyu

, (2021/12/04)

Cumyl hydroperoxide (CHP) is an important intermediate for the production of phenol/acetone, but suffers from severe reaction conditions and a low yield industrially. Here, an efficient transformation from cumene to CHP was developed. Different solvents were modulated for cumene oxidation catalyzed by NHPI/Co, and reaction network and mechanisms were investigated methodically. Hexafluoroisopropanol (HFIP) markedly promoted the transformation from cumene to CHP compared to other solvents at room temperature. A cumene conversion high up to 64.3% were observed with a selectivity to CHP of 71.7%. The solvent HFIP exhibited a significant promotion on cumene oxidation due to its contribution to the enhancement of the concentration of PINO radicals. Moreover, cumyl, cumyl oxyl and methyl radicals were captured by TEMPO and analyzed by HRMS, and the reaction paths and mechanisms from cumene to products were inferred. The preparation method discovered in this work may open an access to the production of CHP.

Two-step sequential energy transfer of molecular assemblies based on host-guest interactions for the construction of photochemically catalyzed artificial light-harvesting systems

Jiang, Man,Li, Xing-Long,Liu, Hui,Wang, Rong-Zhou,Wang, Ying,Xing, Ling-Bao,Yu, Shengsheng,Zhang, Ming-Hui

, (2022/01/14)

In the present work, a highly efficient artificial light-harvesting system with a two-step sequential energy transfer process based on host-guest interactions between cyano-substituted p-phenylenevinylene derivative (PPTA) and cucurbit [7]uril (CB [7]) ha

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