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78-93-3

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78-93-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 78-93-3 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 7 and 8 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 78-93:
(4*7)+(3*8)+(2*9)+(1*3)=73
73 % 10 = 3
So 78-93-3 is a valid CAS Registry Number.
InChI:InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3

78-93-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name butan-2-one

1.2 Other means of identification

Product number -
Other names 2-Butanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Volatile organic compounds
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:78-93-3 SDS

78-93-3Synthetic route

butanone
78-93-3

butanone

Conditions
ConditionsYield
With copper(II) permanganate In dichloromethane for 0.166667h; Product distribution; Ambient temperature; various secondary alcohols; var. reaction time and reflux temperature;100%
Stage #1: iso-butanol; platinum at 90℃; for 0.166667h;
Stage #2: With dihydrogen peroxide In water at 90℃; for 2h; Product distribution / selectivity;
100%
With dihydrogen peroxide; SiW9Al3 at 90℃; for 7h;99%
methyl vinyl ketone
78-94-4

methyl vinyl ketone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With hydrogen; palladium(II) complex of ferrocenylamine sulfide (2) In acetone under 4137.2 Torr; for 0.5h; or with catalyst 3;100%
With Pd/C; hydrogen In chloroform at 20℃; under 760.051 Torr; for 2h; Catalytic behavior; regioselective reaction;100%
With hydrogen; Pd-polymethylhydrosiloxane nanocomposite In benzene at 20℃; for 5h;95%
2-hydroxy-3-butene
598-32-3

2-hydroxy-3-butene

butanone
78-93-3

butanone

Conditions
ConditionsYield
(sulphos)Rh(CO)2 In octane; water at 100℃; for 1h; Product distribution; Further Variations:; Solvents; autoclave;100%
With [Ru(η3:η3-C10H16)Cl2(benzimidazole)] In glycerol at 75℃; for 0.333333h; Sealed tube; Inert atmosphere; Green chemistry;99%
With C12H24O16Ru3*2H2O; sodium hydrogencarbonate In N,N-dimethyl-formamide at 80℃; for 45h; Catalytic behavior; Solvent; Schlenk technique; Inert atmosphere;97%
butan-2-one semicarbazone
624-46-4

butan-2-one semicarbazone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With caro's acid; silica gel In dichloromethane for 0.166667h; Heating;100%
With bismuth(III) nitrate; silica gel In acetone for 0.75h;98%
With clayfen (montmorillonite K-10, Fe(NO3)3*9H2O) for 0.0333333h; microwave irradiation;88%
hydrogen
1333-74-0

hydrogen

methyl vinyl ketone
78-94-4

methyl vinyl ketone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With C61H98ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 6h; Reagent/catalyst; Time;100%
ethyl methyl ketone oxime
96-29-7

ethyl methyl ketone oxime

butanone
78-93-3

butanone

Conditions
ConditionsYield
With aluminum oxide; tripropylammonium fluorochromate (VI) In dichloromethane for 1h;98%
With periodic acid at 20℃; for 0.0166667h;98%
With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium molybdate tetrahydrate In water at 20℃; for 1h;98%
SEC-BUTYLAMINE
33966-50-6

SEC-BUTYLAMINE

butanone
78-93-3

butanone

Conditions
ConditionsYield
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;97%
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0.166667h;96%
With potassium permanganate; iron(II) sulfate In dichloromethane for 5h; Heating;85%
dimethylacetylene
503-17-3

dimethylacetylene

butanone
78-93-3

butanone

Conditions
ConditionsYield
With indium(III) triflate; water; toluene-4-sulfonic acid In 1,2-dichloro-ethane for 6h; Sealed tube; Reflux; regioselective reaction;96%
With sodium tetrachloroaurate(III); sulfuric acid In methanol; water at 75℃; for 2.5h;94.8%
With sulfuric acid; mercury(II) sulfate
With tricalcium diphosphate; tricadmium phosphate; water at 375℃;
2-hydroxy-2-methylbutyric acid
3739-30-8

2-hydroxy-2-methylbutyric acid

butanone
78-93-3

butanone

Conditions
ConditionsYield
With N-iodo-succinimide In chlorobenzene for 0.166667h; Product distribution; Irradiation; degradation of other α-hydroxy carboxylic acid; different times of irradiation and solvents, degradation in the dark at ambient temp.;96%
With manganese(III) oxide at 50 - 60℃;
3-chloro-2-butanone
4091-39-8

3-chloro-2-butanone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With sodium chloride; tin(ll) chloride In tetrahydrofuran; water for 2h; Heating; further sodium halides or pseudo-halides and metal halides;96%
With sodium tetrahydroborate; tin(ll) chloride In tetrahydrofuran for 2h; Heating;93%
With sodium iodide; tin(ll) chloride In tetrahydrofuran; water for 2h; Heating;91%
diethyl(2,2'-bipyridyl)nickel(II)
15218-76-5

diethyl(2,2'-bipyridyl)nickel(II)

A

NiC2H5(Cl)((C5H4N)2)
79268-77-2

NiC2H5(Cl)((C5H4N)2)

B

butanone
78-93-3

butanone

Conditions
ConditionsYield
With acetyl chloride In toluene MeCOCl added to toluene soln. of Ni complex; pptd. by addn. of hexane; GLC anal.;A 47%
B 96%
3-penten-2-one
625-33-2

3-penten-2-one

A

butanone
78-93-3

butanone

B

iso-butanol
78-92-2, 15892-23-6

iso-butanol

Conditions
ConditionsYield
With hydrogen; In diethylene glycol dimethyl ether; water at 30℃; under 735.5 Torr; for 5h; Kinetics; reaction profiles reactions of hydrogenation of some unsatureted ketones;A 95.3%
B 4.7%
sec-butyl nitrite
924-43-6

sec-butyl nitrite

butanone
78-93-3

butanone

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;95%
With dimethyl sulfoxide at 70℃; for 6h;90.64%
butan-2-one phenylhydrazone
1129-62-0

butan-2-one phenylhydrazone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With baker's yeast; phosphate buffer In ethanol at 37℃; for 16h;95%
With iron(II) sulfate In chloroform at 20℃; for 0.75h; Hydrolysis;88%
With citric acid In water for 0.216667h; Microwave irradiation; Green chemistry;84%
With tetraamminecopper(2+) bis(permanganate); acetic acid at 14.85℃; Kinetics; Further Variations:; Temperatures;
With acetic acid; bis-[(trifluoroacetoxy)iodo]benzene at 14.85℃; Kinetics; Further Variations:; Temperatures;
3-bromo-butanone
814-75-5

3-bromo-butanone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With Methyltrichlorosilane; sodium iodide In acetonitrile for 2h; Ambient temperature;95%
With ammonium oxalate; aluminium In methanol for 1.5h; Heating;87%
With tetrakis(triphenylphosphine) palladium(0); 1,1,1,2,2,2-hexamethyldisilane at 150℃; for 9.5h;100 % Spectr.
With bismuth; ammonium fluoride-hydrogen fluoride In water at 20℃; for 2h;100 % Spectr.
2.3-butanediol
513-85-9

2.3-butanediol

A

2,4,5-trimethyl-2-ethyl-1,3-dioxolane
4359-51-7

2,4,5-trimethyl-2-ethyl-1,3-dioxolane

B

3-chlorobutan-2-ol
563-84-8

3-chlorobutan-2-ol

C

butanone
78-93-3

butanone

Conditions
ConditionsYield
With tetrachloromethane; hexacarbonyl molybdenum at 130℃; for 6h;A 95%
B n/a
C n/a
2-butanone N,N-dimethylhydrazone
5758-05-4

2-butanone N,N-dimethylhydrazone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With water; manganese(III) acetylacetonate In chloroform for 1h; Hydrolysis; Heating;94%
With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In chloroform at 20℃; for 1h; oxidative cleavage;92%
With iron(II) sulfate In chloroform at 20℃; for 0.5h; Hydrolysis;88%
2-ethyl-2-methyl-[1,3]dithiane
6007-24-5

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

butanone
78-93-3

butanone

Conditions
ConditionsYield
With hydrogen bromide; dihydrogen peroxide In acetonitrile at 25℃; for 0.383333h;94%
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; dihydrogen peroxide In water; acetonitrile at 20℃; for 0.25h;94%
With Montmorillonite K10 clay; copper(II) nitrate at 20℃; for 1h; ultrasonic-irradiation;93%
formic acid 2-formyloxy-1-methylpropyl ester
56153-29-8

formic acid 2-formyloxy-1-methylpropyl ester

A

formic acid
64-18-6

formic acid

B

trans-2-Butene
624-64-6

trans-2-Butene

C

buta-1,3-diene
106-99-0

buta-1,3-diene

D

butanone
78-93-3

butanone

Conditions
ConditionsYield
at 500℃; for 5h; Mechanism; Inert atmosphere; Flow reactor; Pyrolysis; chemoselective reaction;A 20%
B n/a
C 94%
D n/a
2-(butan-2-ylidene)-1,1-dimethylhydrazine
62461-17-0

2-(butan-2-ylidene)-1,1-dimethylhydrazine

butanone
78-93-3

butanone

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium iodide In water; acetonitrile for 0.0333333h; deprotection;92%
2-butanone 2,4-dinitrophenylhydrazone
958-60-1

2-butanone 2,4-dinitrophenylhydrazone

butanone
78-93-3

butanone

Conditions
ConditionsYield
With bismuth (III) oxychloride In water; acetonitrile for 2.58333h; Reflux;92%
2.3-butanediol
513-85-9

2.3-butanediol

butanone
78-93-3

butanone

Conditions
ConditionsYield
In water at 500℃; Reagent/catalyst; Temperature;90%
With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere;85%
With phosphoric acid; sulfuric acid beim Destillieren;
2-ethyl-2-methyl-1,3-dithiolane
6008-81-7

2-ethyl-2-methyl-1,3-dithiolane

butanone
78-93-3

butanone

Conditions
ConditionsYield
With silica gel In neat (no solvent) at 20℃; for 0.0666667h;90%
With t-butyl thionitrite In acetonitrile at 0℃; for 1h;73%
With potassium superoxide; tetraethylammonium bromide In N,N-dimethyl-formamide at 20℃;35%
(C4H9)3SnOCH(CH3)CH(CH3)Br

(C4H9)3SnOCH(CH3)CH(CH3)Br

A

tributyltin bromide
1461-23-0

tributyltin bromide

B

butanone
78-93-3

butanone

2,3-trans-epoxybutane
21490-63-1

2,3-trans-epoxybutane

Conditions
ConditionsYield
81% decompn. of erythro compound at 140°C (0.5 h);A n/a
B 10%
C 90%
(C4H9)3SnOCH(CH3)CH(CH3)Br

(C4H9)3SnOCH(CH3)CH(CH3)Br

A

tributyltin bromide
1461-23-0

tributyltin bromide

B

butanone
78-93-3

butanone

C

2,3-cis-epoxybutane
925669-95-0

2,3-cis-epoxybutane

Conditions
ConditionsYield
86% decompn. of erythro compound at 140°C (0.5 h);A n/a
B 10%
C 90%
diethyl(2,2'-bipyridyl)nickel(II)
15218-76-5

diethyl(2,2'-bipyridyl)nickel(II)

Acetyl bromide
506-96-7

Acetyl bromide

A

NiC2H5(Br)((C5H4N)2)
79268-70-5

NiC2H5(Br)((C5H4N)2)

B

butanone
78-93-3

butanone

Conditions
ConditionsYield
In toluene CH3COBr added to toluene soln. of Ni complex; pptd. by addn. of hexane; elem. anal.;A 90%
B 76%
N-cyclohexylacetamide
1124-53-4

N-cyclohexylacetamide

ethylmagnesium bromide
925-90-6

ethylmagnesium bromide

A

cyclohexylamine hydrochloride
4998-76-9

cyclohexylamine hydrochloride

B

butanone
78-93-3

butanone

Conditions
ConditionsYield
Stage #1: N-cyclohexylacetamide With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.5h;
Stage #2: ethylmagnesium bromide With cerium(III) chloride In tetrahydrofuran; dichloromethane at -78℃; for 2h;
Stage #3: With hydrogenchloride In ethyl acetate
A 90%
B n/a
dimethylglyoxal
431-03-8

dimethylglyoxal

A

butanone
78-93-3

butanone

B

iso-butanol
78-92-2, 15892-23-6

iso-butanol

C

2.3-butanediol
513-85-9

2.3-butanediol

Conditions
ConditionsYield
With samarium diiodide; water In tetrahydrofuran at 20℃; for 0.2h;A 8%
B 89%
C 2%
2-ethyl-2-methyl-[1,3]oxathiolane
6712-26-1

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

butanone
78-93-3

butanone

Conditions
ConditionsYield
With Montmorillonite K10 In benzene for 2.5h; Heating;87%
butanone
78-93-3

butanone

2-hydroxyethanethiol
60-24-2

2-hydroxyethanethiol

2-ethyl-2-methyl-[1,3]oxathiolane
6712-26-1

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

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Heating;100%
With triisopropylsilyl trifluoromethanesulfonate In 1,4-dioxane at 85℃; for 0.5h;86%
With C22H23O12PS4*HO4S(1-) at 25℃; for 4.33333h; Neat (no solvent); chemoselective reaction;80%
butanone
78-93-3

butanone

acetylene
74-86-2

acetylene

meparfynol
77-75-8

meparfynol

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at 0℃;100%
With tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 5℃; for 1h; Favorskii-Babayan Synthesis;78%
With sodium amide
butanone
78-93-3

butanone

phenol
108-95-2

phenol

Bisphenol B
77-40-7

Bisphenol B

Conditions
ConditionsYield
With hydrogenchloride at 15 - 20℃; for 3h;100%
With hydrogenchloride
butanone
78-93-3

butanone

1,3-dibromobutan-2-one
815-51-0

1,3-dibromobutan-2-one

Conditions
ConditionsYield
With hydrogen bromide; bromine; sodium hydroxide at 0℃; for 0.333333h;100%
With hydrogen bromide; bromine; sodium hydroxide at 0℃; for 1.33333h;100%
With bromine; acetic acid for 1h; Ambient temperature;75%
butanone
78-93-3

butanone

Conditions
ConditionsYield
With hydrogen In water at 100℃; under 11251.1 Torr; for 0.5h; Concentration;100%
With Montmorillonite; (-)N-dodecyl-N-methyl ephedrinium borohydride In benzene for 4h;98%
With lithium aluminium tetrahydride In tetrahydrofuran; benzene magnetic field B0 1.2;98%
butanone
78-93-3

butanone

3-bromo-butanone
814-75-5

3-bromo-butanone

Conditions
ConditionsYield
With bromine100%
With bromine In tetrachloromethane Ambient temperature;71%
With bromine; acetic acid In water at 20 - 70℃; for 17h;70%
aniline
62-53-3

aniline

butanone
78-93-3

butanone

N-sec-butyl-aniline
881008-34-0

N-sec-butyl-aniline

Conditions
ConditionsYield
With iridium bromide; formic acid; zinc In water at 30℃; for 20h;100%
With platinum on carbon; hydrogen; acetic acid In acetic acid at 60℃; for 2.5h; Pressure; Reagent/catalyst; Autoclave; Inert atmosphere;96.9%
With tin(II) chloride dihdyrate In methanol at 70℃; for 6h; chemoselective reaction;93%
sodium cyanide
143-33-9

sodium cyanide

butanone
78-93-3

butanone

DL-[α-15N]-α-aminoisovaleronitrile
270578-61-5

DL-[α-15N]-α-aminoisovaleronitrile

Conditions
ConditionsYield
With (15N)-ammonium chloride In water at 20℃; for 12h;100%
With (15N)-ammonium chloride In dichloromethane; water at 20℃; for 24h; Addition; substitution;100%
nitromethane
75-52-5

nitromethane

phenylmethanethiol
100-53-8

phenylmethanethiol

butanone
78-93-3

butanone

2-benzylthio-2-nitromethylbutane
335458-22-5

2-benzylthio-2-nitromethylbutane

Conditions
ConditionsYield
With piperidine In benzene100%
With ethylenediamine In acetonitrile for 8h; Heating;95%
With ethylenediamine In acetonitrile
4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

butanone
78-93-3

butanone

(E)-1-(4-trifluoromethoxyphenyl)pent-1-en-3-one

(E)-1-(4-trifluoromethoxyphenyl)pent-1-en-3-one

Conditions
ConditionsYield
With barium dihydroxide In ethanol; water100%
4-methoxyphenylhydrazine hydrochloride
19501-58-7

4-methoxyphenylhydrazine hydrochloride

butanone
78-93-3

butanone

2,3-dimethyl-5-methoxyindole
828-94-4

2,3-dimethyl-5-methoxyindole

Conditions
ConditionsYield
In acetic acid for 1.5h; Heating;100%
With acetic acid for 1h; Concentration; Reflux;94%
With ammonium cerium (IV) nitrate In methanol for 0.25h; Fischer indole synthesis; Reflux;90%
methyl 3-(2-hydroxybenzoyl)-propionate
56871-93-3

methyl 3-(2-hydroxybenzoyl)-propionate

butanone
78-93-3

butanone

1,2-Epoxy-3-bromopropane
3132-64-7

1,2-Epoxy-3-bromopropane

methyl 3-[2-(2,3-epoxypropoxy)benzoyl]-propionate
56871-94-4

methyl 3-[2-(2,3-epoxypropoxy)benzoyl]-propionate

Conditions
ConditionsYield
With potassium carbonate100%
With potassium carbonate100%
With potassium carbonate100%
(Z)-3-cyano-l-phenyl-3-phenyl-2-propen-1-one
104386-86-9

(Z)-3-cyano-l-phenyl-3-phenyl-2-propen-1-one

butanone
78-93-3

butanone

3,5-diphenyl-5-(1-methyl-2-oxopropyl)-3-pyrrolin-2-one

3,5-diphenyl-5-(1-methyl-2-oxopropyl)-3-pyrrolin-2-one

Conditions
ConditionsYield
With water; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 70℃; for 15h; Inert atmosphere; optical yield given as %de;100%
2-chloro-1-(ichloromethyl)ethyl palmitate
72165-62-9

2-chloro-1-(ichloromethyl)ethyl palmitate

butanone
78-93-3

butanone

allyl hexadecanoate
43211-62-7

allyl hexadecanoate

Conditions
ConditionsYield
With sodium iodide at 115℃; for 48h; Finkelstein rearrangement-elimination;100%
benzoic acid hydrazide
613-94-5

benzoic acid hydrazide

butanone
78-93-3

butanone

(E)-N'-(butan-2-ylidene)benzohydrazide

(E)-N'-(butan-2-ylidene)benzohydrazide

Conditions
ConditionsYield
at 202℃; under 9600.96 Torr; for 0.0666667h; Microwave irradiation; neat (no solvent);100%
With Tb3+-EDTA complex covalently bonded on magnetic nanoparticles In ethanol at 75℃; for 1h; Green chemistry;82%
4-methoxy-aniline
104-94-9

4-methoxy-aniline

butanone
78-93-3

butanone

2-(4-methoxyphenylamino)butane
16495-68-4

2-(4-methoxyphenylamino)butane

Conditions
ConditionsYield
With dirhodium tetraacetate; carbon monoxide In tetrahydrofuran; water at 120℃; under 15001.5 Torr; for 4h; Autoclave;100%
With dirhodium tetraacetate; carbon monoxide In tetrahydrofuran; water at 120℃; under 15001.5 Torr; for 4h;100%
With tin(II) chloride dihdyrate In methanol at 70℃; for 6h; chemoselective reaction;95%
p-hydroxyphenethyl alcohol
501-94-0

p-hydroxyphenethyl alcohol

butanone
78-93-3

butanone

2′-(4-hydroxyphenyl)ethylpropanoate

2′-(4-hydroxyphenyl)ethylpropanoate

Conditions
ConditionsYield
With Candida antarctica lipase B at 45℃; for 24h; Enzymatic reaction;100%
butanone
78-93-3

butanone

ethyl methyl ketone oxime
96-29-7

ethyl methyl ketone oxime

Conditions
ConditionsYield
With ammonium sulfate; dihydrogen peroxide; sodium carbonate In water at 60℃; for 5h; Reagent/catalyst; Concentration; Time;99.8%
With tetrabutyl-ammonium chloride; hydroxylamine; sodium hydrogencarbonate In water for 0.166667h; Ambient temperature;96%
With hydroxylamine hydrochloride at 44℃; for 0.05h; Catalytic behavior; Microwave irradiation; Green chemistry;85%
N-(o-fluorophenyl)-N'-benzoyl-thiourea
73999-10-7

N-(o-fluorophenyl)-N'-benzoyl-thiourea

ethyl iodide
75-03-6

ethyl iodide

butanone
78-93-3

butanone

N-(o-fluorophenyl)-N'-benzoyl-S-ethylisothiourea

N-(o-fluorophenyl)-N'-benzoyl-S-ethylisothiourea

Conditions
ConditionsYield
With potassium carbonate99.3%
C17H16N4O2

C17H16N4O2

butanone
78-93-3

butanone

3-(4-ethoxyphenyl)-6-ethyl-6-methyl-6,7-dihydro-2H-[1,2,4]triazino[2,3-c]quinazolin-2-one

3-(4-ethoxyphenyl)-6-ethyl-6-methyl-6,7-dihydro-2H-[1,2,4]triazino[2,3-c]quinazolin-2-one

Conditions
ConditionsYield
With acetic acid Reflux;99.2%
ethanolamine
141-43-5

ethanolamine

butanone
78-93-3

butanone

2-aminoethanol methyl ethyl ketimine
81241-65-8

2-aminoethanol methyl ethyl ketimine

Conditions
ConditionsYield
In hexane at 63.7 - 69.8℃; for 6h; Temperature; Solvent; Dean-Stark;99%
In hexane at 63.7 - 69.8℃; for 6h; Dean-Stark;99%
With benzene
ethylene glycol
107-21-1

ethylene glycol

butanone
78-93-3

butanone

2-ethyl-2-methyl-1,3-dioxolane
126-39-6

2-ethyl-2-methyl-1,3-dioxolane

Conditions
ConditionsYield
With phosphorus modified SO4(2-)/TiO2 In cyclohexane for 2h; Dean-Stark; Reflux;99%
With [CuI4CuII(mtpo)4(H2O)2Cl2]n In toluene at 110℃; for 24h;97%
With polyacrylonitrile hybrid fiber mat supported solid acid catalyst In cyclohexane Reflux;96.56%
ethyl 2-cyanoacetate
105-56-6

ethyl 2-cyanoacetate

butanone
78-93-3

butanone

2-cyano-3-methyl-pent-2-enoic acid ethyl ester
759-51-3, 25528-06-7, 53246-72-3

2-cyano-3-methyl-pent-2-enoic acid ethyl ester

Conditions
ConditionsYield
piperidine at 23℃; under 2250180 Torr; for 2h; Knoevenagel condensation;99%
With IrH5(P-(i-Pr)3)2 In tetrahydrofuran at 65℃; for 48h;30%
With ammonium acetate; acetic acid; benzene at 150℃;
propylene glycol
57-55-6

propylene glycol

butanone
78-93-3

butanone

2-ethyl-2,4-dimethyl-[1,3]dioxolane
2916-28-1

2-ethyl-2,4-dimethyl-[1,3]dioxolane

Conditions
ConditionsYield
With phosphorus modified SO4(2-)/TiO2 In cyclohexane for 2h; Dean-Stark; Reflux;99%
for 2h; Reflux;88.6%
With formylmorpholine-dimethylsulfate-adduct In dichloromethane for 24h; Ambient temperature;72.7%

78-93-3Relevant articles and documents

Fluorescence excitation spectrum of the 2-butoxyl radical and kinetics of its reactions with NO and NO2

Lotz,Zellner

, p. 2607 - 2613 (2001)

The (A ← X) fluorescence excitation spectrum of the 2-C4H9O(X) (2-butoxyl) radical in the wavelength range 345-390 nm was obtained using a combined laser photolysis/laser-induced fluorescence (LIF) technique following the generation of the radicals by excimer laser photolysis of 2-butylnitrite at λ = 351 nm. The fluorescence excitation spectrum shows 5 vibronic bands, where the dominant progression corresponds to the CO-stretching vibration in the first electronically excited state with v′CO = (560 ± 10) cm-1. The transition origin was assigned at v00 = (26768 ± 10) cm-1 (λ00 = (373.58 ± 0.15) nm). The kinetics of the reactions of the 2-butoxyl radical with NO and NO2 at temperatures between T = 223-305 K and pressures between p = 6.5-104 mbar have been determined. The rate coefficients for both reactions were found to be independent of total pressure with kNO = (3.9 ± 0.3) × 10-11 cm3 s-1 and kNO2 = (3.6 ± 0.3) times; 10-11 cm3 s-1 at T = 295 K. The Arrhenius expressions have been determined to be kNO = (9.1 ± 2.7) × 10-12 exp((3.4 ± 0.6) kJ mol-1/RT) cm3 s-1 and kNO2 = (8.6 ± 3.3) × 10-12 exp((3.3 ± 0.8) kJ mol-1/RT) cm3 s-1. In addition, the radiative lifetime of the 2-C4H9O(A) radical after excitation at λ = 365.938 nm in the (0,1) band has been determined to be τrad(2-C4H9O(A)) = (440 ± 80) ns. Quenching rate constants of the 2-C4H9O(A) radical were measured to be kq = (4.7 ± 0.3) × 10-10 cm3 s-1 and kq = (5.0 ± 0.4) × 10-12 cm3 s-1 for 2-butylnitrite and nitrogen, respectively.

Homogeneous Hydrogenation of α,β-Unsaturated Ketones and Aldehydes Catalyzed by Co2(CO)8-Di(tertiary phosphine) Complexes

Murata, Kazuhisa,Matsuda, Akio

, p. 1899 - 1900 (1981)

The cobalt complexes modified by some di(tertiary phosphine)s as ligands were found to be much more active catalysts than Co2(CO)8 for the hydrogenation of α,β-unsaturated ketones and aldehydes under hydroformylation conditions.

Mutation of serine-39 to threonine in thermostable secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus changes enantiospecificity

Tripp, Allie E.,Burdette, Douglas S.,Zeikus, J. Gregory,Phillips, Robert S.

, p. 5137 - 5141 (1998)

The substrate specificity of wild-type and Ser39 → Thr (S39T) secondary alcohol dehydrogenase (SADH) from Thermoanaerobacter ethanolicus was examined. The S39T mutation increases activity for 2-propanol without any significant effect on NADP+ binding. There is no significant effect of the mutation on the primary and secondary alcohol specificity of SADH. However, an effect on the enantiospecificity of SADH by the S39T mutation is demonstrated. Throughout the temperature range from 15 to 55 °C, wild-type SADH exhibits a preference for (S)-2-pentanol. In contrast, a temperature- dependent reversal of enantiospecificity is observed for 2-butanol, with a racemic temperature of 297 K. Throughout the same range of temperatures, S39T SADH exhibits higher enantiospecificity for the (R)-enantiomers of both 2- butanol and 2-pentanol. Examination of individual k(cat)/K(m) values for each enantiomer of the chiral alcohols reveals that the effect of the mutation is to decrease (S)-2-butanol specificity, and to preferentially enhance (R)-2- pentanol specificity relative to (S)-2-pentanol. These results are the first step toward expanding the synthetic utility of SADH to allow efficient preparation of a range of (R)-alcohols.

-

Arzoumanian,Metzger

, p. C1,C2 (1973)

-

-

Fischer,Lehnig

, p. 3410 (1971)

-

Syntheses of ketonated disulfide-bridged diruthenium complexes via C-H bond activation and C-S bond formation

Sugiyama, Hiroyasu,Hossain, Md. Munkir,Lin, Yong-Shou,Matsumoto, Kazuko

, p. 3948 - 3956 (2000)

The α-C-H bonds of 3-methyl-2-butanone, 3-pentanone, and 2-methyl-3-pentanone were activated on the sulfur center of the disulfide-bridged ruthenium dinuclear complex [{RuCl(P(OCH3)3)2}2(μ-S2)(μ-Cl)2] (1) in the presence of AgX (X = PF6, SbF6) with concomitant formation of C-S bonds to give the corresponding ketonated complexes [{Ru(CH3CN)2(P(OCH3)3)2}(μ-SSCHR1COR2){Ru(CH3CN)3( P(OCH3)3)2}]X3 ([5](PF6)3, R1 = H, R2 = CH(CH3)2, X = PF6; [6](PF6)3, R1 = CH3, R2 = CH2CH3, X = PF6; [7](SbF6)3, R1 = CH3, R2 = CH(CH3)2, X = SbF6). For unsymmetric ketones, the primary or the secondary carbon of the α-C-H bond, rather than the tertiary carbon, is preferentially bound to one of the two bridging sulfur atoms. The α-C-H bond of the cyclic ketone cyclohexanone was cleaved to give the complex [{Ru(CH3CN)2(P(OCH3)3)2}(μ-SS-1-cyclohexanon-2-yl){Ru(CH3CN)3(P(OC H3)3)2}](SbF6)3 ([8](SBF6)3). And the reactions of acetophenone and p-methoxyacetophenone, respectively, with the chloride-free complex [{Ru(CH3CN)3(P(OCH3)3)2}2(μ-S2)]4+ (3) gave [{Ru(CH3CN)2(P(OCH3)3)2}(μ-SSCH2COAr){Ru(CH3CN)3(P(OCH3)3)2}] (CF3SO3)3 ([9](CF3SO3)3, Ar = Ph; [10](CF3SO3)3, Ar = p-CH3OC6H4). The relative reactivities of a primary and a secondary C-H bond were clearly observed in the reaction of butanone with complex 3, which gave a mixture of two complexes, i.e., [{Ru(CH3CN)2(P(OCH3)3)2}(μ-SSCH2COCH2-CH3){Ru(CH3CN)3 (P(OCH3)3)2}](CF3SO3)3 ([11](CF3SO3)3) and [{Ru(CH3CN)2(P(OCH3)3)2} (μ-SSCHCH3COCH3){Ru(CH3CN)3(P(OCH3)3)2}](CF3SO3)3 ([12](CF3SO3)3), in a molar ratio of 1:1.8. Complex 12 was converted to 11 at room temperature if the reaction time was prolonged. The relative reactivities of the α-C-H bonds of the ketones were deduced to be in the order 2°> 1°> 3°, on the basis of the consideration of contributions from both electronic and steric effects. Additionally, the C-S bonds in the ketonated complexes were found to be cleaved easily by protonation at room temperature. The mechanism for the formation of the ketonated disulfide-bridged ruthenium dinuclear complexes is as follows: Initial coordination of the oxygen atom of the carbonyl group to the ruthenium center, followed by addition of an α-C-H bond to the disulfide bridging ligand, having S=S double-bond character, to form a C-S-S-H moiety, and finally completion of the reaction by deprotonation of the S-H bond.

High-turnover supramolecular catalysis by a protected ruthenium(II) complex in aqueous solution

Brown, Casey J.,Miller, Gregory M.,Johnson, Miles W.,Bergman, Robert G.,Raymond, Kenneth N.

, p. 11964 - 11966 (2011)

The design of a supramolecular catalyst capable of high-turnover catalysis is reported. A ruthenium(II) catalyst is incorporated into a water-soluble supramolecular assembly, imparting the ability to catalyze allyl alcohol isomerization. The catalyst is protected from decomposition by sequestration inside the host but retains its catalytic activity with scope governed by confinement within the host. This host-guest complex is a uniquely active supramolecular catalyst, capable of >1000 turnovers.

Greatly improved activity in ruthenium catalysed butanone synthesis

Van der Drift,Mul,Bouwman,Drent

, p. 2746 - 2747 (2001)

In situ mixing of ruthenium trichloride with one equivalent of 1,10-phenanthroline yields a highly active catalyst for synthesis of butanone from buta-1,3-diene.

Vapor-phase dehydration of 1,4-butanediol to 1,3-butadiene over Y2Zr2O7 catalyst

Matsuda, Asami,Matsumura, Yoshitaka,Sato, Satoshi,Yamada, Yasuhiro

, (2021/09/16)

Vapor-phase catalytic dehydration of 1,4-butanediol (1,4-BDO) was investigated over Y2O3-ZrO2 catalysts. In the dehydration, 1,3-butadiene (BD) together with 3-buten-1-ol (3B1OL), tetrahydrofuran, and propylene was produced depending on the reaction conditions. In the dehydration over Y2O3-ZrO2 catalysts with different Y contents at 325°C, Y2Zr2O7 with an equimolar ratio of Y/Zr showed high selectivity to 3B1OL, an intermediate to BD. In the dehydration at 360°C, a BD yield higher than 90% was achieved over the Y2Zr2O7 calcined at 700°C throughout 10 h. In the dehydration of 3B1OL over Y2Zr2O7, however, the catalytic activity affected by the calcination temperature is roughly proportional to the specific surface area of the sample. The highest activity of Y2Zr2O7 calcined at 700 °C for the BD formation from 1,4-BDO is explained by the trade-off relation in the activities for the first-step dehydration of 1,4-BDO to 3B1OL and for the second-step dehydration of 3B1OL to BD. The higher reactivity of 3B1OL than saturated alcohols such as 1-butanol and 2-butanol suggests that the C=C double bond of 3B1OL induces an attractive interaction to anchor the catalyst surface and promotes the dehydration. A probable mechanism for the one-step dehydration of 1,4-BDO to BD was discussed.

Green oxidation of amines by a novel cold-adapted monoamine oxidase mao p3 from psychrophilic fungi pseudogymnoascus sp. p3

Bia?kowska, Aneta M.,Jod?owska, Iga,Szymczak, Kamil,Twarda-Clapa, Aleksandra

supporting information, (2021/10/25)

The use of monoamine oxidases (MAOs) in amine oxidation is a great example of how biocatalysis can be applied in the agricultural or pharmaceutical industry and manufacturing of fine chemicals to make a shift from traditional chemical synthesis towards more sustainable green chemistry. This article reports the screening of fourteen Antarctic fungi strains for MAO activity and the discovery of a novel psychrozyme MAOP3 isolated from the Pseudogymnoascus sp. P3. The activity of the native enzyme was 1350 ± 10.5 U/L towards a primary (n-butylamine) amine, and 1470 ± 10.6 U/L towards a secondary (6,6-dimethyl-3-azabicyclohexane) amine. MAO P3 has the potential for applications in biotransformations due to its wide substrate specificity (aliphatic and cyclic amines, pyrrolidine derivatives). The psychrozyme operates at an optimal temperature of 30? C, retains 75% of activity at 20? C, and is rather thermolabile, which is beneficial for a reduction in the overall costs of a bioprocess and offers a convenient way of heat inactivation. The reported biocatalyst is the first psychrophilic MAO; its unique biochemical properties, substrate specificity, and effectiveness predispose MAO P3 for use in environmentally friendly, low-emission biotransformations.