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140-39-6

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140-39-6 Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 140-39-6 differently. You can refer to the following data:
1. Colorless, oily liquid; odor similar to phenol. distillation with steam. Insoluble in water; soluble in common organic solvents. Combustible.
2. p-Tolyl acetate has a strong, floral odor (narcissus) with a characteristic honey-like flavor

Occurrence

Reported as a constituent of the essential oils of wallflower, cananga and ylang-ylang.

Uses

Different sources of media describe the Uses of 140-39-6 differently. You can refer to the following data:
1. Perfumery, flavoring.
2. p-Tolyl acetate has been used in the total synthesis of (?)-incrustoporin.

Preparation

By acetylation of p-cresol.

Synthesis Reference(s)

The Journal of Organic Chemistry, 43, p. 2417, 1978 DOI: 10.1021/jo00406a025

General Description

The Fries rearrangement of p-tolyl acetate has been investigated using the H-form of various zeolites as catalysts. Mechanism of photo-Fries rearrangement of p-tolyl acetate has been studied.

Flammability and Explosibility

Notclassified

Safety Profile

Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes.

Check Digit Verification of cas no

The CAS Registry Mumber 140-39-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,4 and 0 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 140-39:
(5*1)+(4*4)+(3*0)+(2*3)+(1*9)=36
36 % 10 = 6
So 140-39-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

140-39-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name P-Tolyl Acetate

1.2 Other means of identification

Product number -
Other names p-Cresyl Acetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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:140-39-6 SDS

140-39-6Synthetic route

p-cresol
106-44-5

p-cresol

acetic anhydride
108-24-7

acetic anhydride

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With pyridine at 100℃; for 15h;100%
at 20℃; for 0.666667h;100%
With pyridine at 25℃; for 12h;100%
p-cresol
106-44-5

p-cresol

acetyl chloride
75-36-5

acetyl chloride

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In acetonitrile at 20℃; for 1h;99%
With tetrabutyl-ammonium chloride; sodium hydroxide In dichloromethane; water at 0℃; for 0.0833333h;95%
With ZnAl2O4 nanoparticles at 20℃; for 0.566667h; Neat (no solvent);93%
p-cresol
106-44-5

p-cresol

acetic acid
64-19-7

acetic acid

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With 50wtpercent Cs2.5H0.5PW12O40 supported on MCM-41 In acetonitrile at 50℃; for 0.5h;98%
With phosphorus pentoxide; silica gel at 25℃; for 6h;84%
With phosphate buffer; Porcine Pancreas Lipase In chloroform; Petroleum ether at 56 - 60℃; for 88h; pH=7.0;67.9%
vinyl acetate
108-05-4

vinyl acetate

p-cresol
106-44-5

p-cresol

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran at 120℃; for 18h; Schlenk technique;98%
With sodium carbonate In acetonitrile at 120℃; for 24h; Schlenk technique;98%
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 12h; Green chemistry;69%
In tetrahydrofuran; cyclohexane at 40℃; Rate constant; adsorbed Chromobacterium viscosum lipase;
With steapsin lipase In hexane at 55℃; for 60h; Enzymatic reaction;81 %Chromat.
4-Methylanisole
104-93-8

4-Methylanisole

carbon monoxide
201230-82-2

carbon monoxide

methyl iodide
74-88-4

methyl iodide

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave;95%
p-(trimethylsilyl)toluene
3728-43-6

p-(trimethylsilyl)toluene

acetic acid
64-19-7

acetic acid

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene at 80℃; for 17h;93%
p-cresolate
22113-51-5

p-cresolate

acetic anhydride
108-24-7

acetic anhydride

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With Amberlite IRA-400 for 2h; Ambient temperature;92%
p-cresol
106-44-5

p-cresol

A

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

B

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With acetic acidA 92%
B n/a
p-cresol
106-44-5

p-cresol

carbon monoxide
201230-82-2

carbon monoxide

methyl iodide
74-88-4

methyl iodide

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave;91%
para-methylacetophenone
122-00-9

para-methylacetophenone

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With oxygen; benzaldehyde; nickel(II) iodide; Dowex 50W; iron(II) In 1,2-dichloro-ethane at 20℃; for 7h; Baeyer-Villiger oxidation;87%
With sodium perborate In acetic acid; trifluoroacetic acid for 8h; Ambient temperature;79%
With dihydrogen peroxide In 1,2-dichloro-ethane at 80℃; for 24h; Baeyer-Villiger Ketone Oxidation; regioselective reaction;59%
Acetyl bromide
506-96-7

Acetyl bromide

4-methylphenyl benzyl ether
834-25-3

4-methylphenyl benzyl ether

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With lithium bromide In dichloromethane at 30 - 35℃; for 12h; Inert atmosphere;86%
p-cresol
106-44-5

p-cresol

2,4,6-triacetyloxy-1,3,5-triazine
13483-16-4

2,4,6-triacetyloxy-1,3,5-triazine

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
at 80℃; for 0.333333h; neat (no solvent);65%
p-cresol
106-44-5

p-cresol

potassium thioacetate
10387-40-3

potassium thioacetate

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With copper(II) acetate monohydrate In acetonitrile at 80℃; for 18h; Reagent/catalyst; Temperature; Sealed tube;64%
With copper diacetate In acetonitrile at 80℃; for 4h;53%
4-Methylanisole
104-93-8

4-Methylanisole

acetyl chloride
75-36-5

acetyl chloride

A

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

B

2,2'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl
7168-55-0

2,2'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl

Conditions
ConditionsYield
CoCl2 In acetonitrile at 80℃;A 45%
B 52%
4-methyl-4-acetyl-2-cyclohexen-1-one
61599-05-1

4-methyl-4-acetyl-2-cyclohexen-1-one

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 220h; Heating;35%
With benzenesulfonamide; benzeneseleninic anhydride In benzene for 48h; Heating;
With 2,3-dicyano-5,6-dichloro-p-benzoquinone
perfluoroheptanoic acid
375-85-9

perfluoroheptanoic acid

toluene
108-88-3

toluene

A

2-methylphenyl acetate
533-18-6

2-methylphenyl acetate

B

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

C

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid o-tolyl ester

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid o-tolyl ester

D

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid benzyl ester

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid benzyl ester

E

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid p-tolyl ester
102607-12-5

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid p-tolyl ester

Conditions
ConditionsYield
With lead(IV) acetate at 80℃; for 7h; Mechanism; Product distribution; other temperature;A n/a
B n/a
C n/a
D 5%
E n/a
p-cresol
106-44-5

p-cresol

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With boric acid; xylene Entfernen des entstehenden H2O und Erhitzen des Reaktionsprodukts mit Essigsaeure;
With pyridine; acetic anhydride
carbonic acid p-tolyl ester-trichloromethyl ester

carbonic acid p-tolyl ester-trichloromethyl ester

sodium acetate
127-09-3

sodium acetate

A

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

B

acetic anhydride
108-24-7

acetic anhydride

Conditions
ConditionsYield
at 50 - 60℃; zuletzt bei 140-150grad;
4-methylisopropylbenzene
99-87-6

4-methylisopropylbenzene

acetic anhydride
108-24-7

acetic anhydride

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With oxygen; toluene-4-sulfonic acid at 90℃;
toluene-4-diazonium ; sulfate

toluene-4-diazonium ; sulfate

acetic acid
64-19-7

acetic acid

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

potassium p-cresolate
1192-96-7

potassium p-cresolate

acetyl chloride
75-36-5

acetyl chloride

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Perbenzoic acid
93-59-4

Perbenzoic acid

para-methylacetophenone
122-00-9

para-methylacetophenone

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With chloroform
p-cresol
106-44-5

p-cresol

1-acetyl-3-benzylimidazolium bromide
85106-60-1

1-acetyl-3-benzylimidazolium bromide

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
In chloroform for 0.3h; Ambient temperature;99 % Spectr.
3-nitrophenyl acetate
1523-06-4

3-nitrophenyl acetate

p-cresolate
22113-51-5

p-cresolate

A

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

B

3-nitrophenolate anion
16554-54-4

3-nitrophenolate anion

Conditions
ConditionsYield
With potassium chloride In water at 25℃; Rate constant;
3,4-dinitro-phenyl-acetate
10186-94-4

3,4-dinitro-phenyl-acetate

p-cresolate
22113-51-5

p-cresolate

A

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

B

3,4-dinitrophenoxide ion
60154-37-2

3,4-dinitrophenoxide ion

Conditions
ConditionsYield
With potassium chloride In water at 25℃; Rate constant;
acetic anhydride
108-24-7

acetic anhydride

toluene
108-88-3

toluene

A

2-methylphenyl acetate
533-18-6

2-methylphenyl acetate

B

3-acetoxytoluene
122-46-3

3-acetoxytoluene

C

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With hexaaquairon(II) perchlorate; dihydrogen peroxide; acetonitrile at 30℃; for 0.05h; Product distribution; Mechanism; se. aromatic and aliphatic hydrocarbons; further reagents: iron(II)-solvates; var. ratio of reagents;
4-acetyl-4-methyl-6-phenylselenocyclohex-2-enone
97400-46-9, 97400-47-0

4-acetyl-4-methyl-6-phenylselenocyclohex-2-enone

A

p-cresol
106-44-5

p-cresol

B

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With ozone In dichloromethane at -78 - 20℃; for 1.5h; Title compound not separated from byproducts;
With ozone In diethyl ether Product distribution; 1) -78 deg C, 2) to r.t.;
acetic acid
64-19-7

acetic acid

toluene
108-88-3

toluene

A

2-methylphenyl acetate
533-18-6

2-methylphenyl acetate

B

3-acetoxytoluene
122-46-3

3-acetoxytoluene

C

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
With palladium diacetate; sodium dichromate; methanesulfonic acid; benzonitrile at 90℃; for 16h; Product distribution; Mechanism; var. conc. of oxidazing agent, other aromatic compounds;
p-cresol
106-44-5

p-cresol

4-nitrophenol acetate
830-03-5

4-nitrophenol acetate

A

4-nitro-phenol
100-02-7

4-nitro-phenol

B

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

Conditions
ConditionsYield
In water; acetonitrile at 25℃; Rate constant; Mechanism; pH 10.00;
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

p-cresol
106-44-5

p-cresol

Conditions
ConditionsYield
silica gel; toluene-4-sulfonic acid In water; toluene at 80℃; for 8h;100%
With ammonium acetate In methanol at 20℃; for 4.5h;97%
With mesoporous silica-supported (Salen) Co(II) catalyst In methanol at 20℃; for 1h; chemoselective reaction;95%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

4,4,5,5-tetramethyl-2-(p-tolyloxy)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(p-tolyloxy)-1,3,2-dioxaborolane

Conditions
ConditionsYield
With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox;99%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

5-methyl-2-hydroxyacetophenone
1450-72-2

5-methyl-2-hydroxyacetophenone

Conditions
ConditionsYield
With aluminium trichloride a) 130 deg C, 1 h, b) 25 deg C (ice cooling), 1 h;98%
With phosphorus pentoxide; silica gel for 0.0833333h; Fries rearrangement; microwave irradiation;98%
for 0.116667h; Rearrangement; microwave irradiation;97%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

diphenyl acetylene
501-65-5

diphenyl acetylene

6-methyl-3,4-diphenyl-2H-chromen-2-one
33257-85-1

6-methyl-3,4-diphenyl-2H-chromen-2-one

Conditions
ConditionsYield
With copper acetylacetonate; tris(triphenylphosphine)ruthenium(II) chloride; di-n-butyliodotin hydride; 3-ethyl-1-methyl-1H-imidazol-3-ium 2,2,2-trifluoroacetate In 1,4-dioxane; dimethyl sulfoxide at 20 - 70℃; for 8h; Reagent/catalyst; Inert atmosphere;97.6%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

benzyl bromide
100-39-0

benzyl bromide

4-methylphenyl benzyl ether
834-25-3

4-methylphenyl benzyl ether

Conditions
ConditionsYield
With sodium methylate In N,N-dimethyl-formamide for 0.5h; Ambient temperature;95%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

phenylboronic acid
98-80-6

phenylboronic acid

4-tolyl phenyl sulfide
3699-01-2

4-tolyl phenyl sulfide

Conditions
ConditionsYield
With copper(l) iodide; sulfur; sodium t-butanolate at 60 - 80℃; for 22h;92%
With sulfur; nickel(II) ferrite; sodium t-butanolate at 90℃; for 24h; Green chemistry;90 %Chromat.
p-Aminophenethylamine
13472-00-9

p-Aminophenethylamine

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-(2-(((methyl)carbonyl)amino)ethyl)aniline
40377-41-1

4-(2-(((methyl)carbonyl)amino)ethyl)aniline

Conditions
ConditionsYield
at 20℃; for 30h;89.7%
at 20℃; for 30h;89.7%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-acetoxybenzyl bromide
52727-95-4

4-acetoxybenzyl bromide

Conditions
ConditionsYield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 50℃; for 3h;89.2%
With N-Bromosuccinimide; dibenzoyl peroxide In chloroform for 4h; Reflux;79%
With N-Bromosuccinimide; dibenzoyl peroxide In chloroform at 61℃; for 4h;66%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

di-(p-tolyl)sulfane
620-94-0

di-(p-tolyl)sulfane

Conditions
ConditionsYield
With copper(l) iodide; sulfur; sodium t-butanolate at 60 - 80℃; for 25h;89%
With sulfur; nickel(II) ferrite; sodium t-butanolate at 90℃; for 26h; Green chemistry;89 %Chromat.
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

triphenyltin chloride
639-58-7

triphenyltin chloride

4-tolyl phenyl sulfide
3699-01-2

4-tolyl phenyl sulfide

Conditions
ConditionsYield
With potassium fluoride; copper diacetate; potassium carbonate; sulfur at 80℃; for 12h;89%
With sulfur; potassium fluoride; nickel(II) ferrite; potassium carbonate at 85℃; for 14h; Green chemistry;87 %Chromat.
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

di-(p-tolyl)sulfane
620-94-0

di-(p-tolyl)sulfane

Conditions
ConditionsYield
With copper(l) iodide; sulfur; sodium t-butanolate In N,N-dimethyl-formamide at 120℃; for 15h; Inert atmosphere;88%
With sulfur; nickel(II) ferrite; sodium t-butanolate In N,N-dimethyl-formamide at 120℃; for 17h; Inert atmosphere; Green chemistry;88 %Chromat.
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

Conditions
ConditionsYield
With zinc(II) oxide In N,N-dimethyl-formamide for 0.133333h; microwave irradiation;83%
With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; acetic acid at 100℃; for 15h;83%
With 2,2'-azobis(isobutyronitrile); oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; manganese(II) acetate In acetic acid at 100℃; under 760 Torr; for 6h;74%
cobalt (II) acetate·4 H2O

cobalt (II) acetate·4 H2O

manganese (II) acetate·4 H2O

manganese (II) acetate·4 H2O

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

azobisisobutyronitrile
34241-39-9

azobisisobutyronitrile

1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione
143435-52-3

1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione

4-acetyloxy-benzoic acid
2345-34-8

4-acetyloxy-benzoic acid

Conditions
ConditionsYield
With acetic acid82%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-methoxybenzoic acid
100-09-4

4-methoxybenzoic acid

4-methylphenyl 4-methoxybenzoate
58600-95-6

4-methylphenyl 4-methoxybenzoate

Conditions
ConditionsYield
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst;82%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

A

4-formylphenyl acetate
878-00-2

4-formylphenyl acetate

B

Acetic acid 4-nitrooxymethyl-phenyl ester
91735-04-5

Acetic acid 4-nitrooxymethyl-phenyl ester

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 2.5h; Irradiation;A n/a
B 80%
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 2.5h; Mechanism; Irradiation;A n/a
B 80%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

benzoic acid
65-85-0

benzoic acid

p-cresyl benzoate
614-34-6

p-cresyl benzoate

Conditions
ConditionsYield
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst;79%
1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

methyl iodide
74-88-4

methyl iodide

4-Methylanisole
104-93-8

4-Methylanisole

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide 1.) 0 deg C, 1 h, 2.) 25 deg C;78%
4-Bromobenzoic acid
586-76-5

4-Bromobenzoic acid

1-acetoxy-4-methylbenzene
140-39-6

1-acetoxy-4-methylbenzene

4-methylphenyl 4-bromobenzoate
107456-33-7

4-methylphenyl 4-bromobenzoate

Conditions
ConditionsYield
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst;78%

140-39-6Relevant articles and documents

Fabrication of Fe3O4- l -dopa-CuII/SnIV@Micro-Mesoporous-SiO2 Catalyst Applied to Baeyer-Villiger Oxidation Reaction

Huo, Hongfei,Wu, Li,Ma, Jianxin,Yang, Honglei,Zhang, Le,Yang, Yuanyuan,Li, Shuwen,Li, Rong

, p. 779 - 786 (2016)

A Magnetic mFe3O4-l-dopa-CuII/SnIV@micro-mesoporous-SiO2 catalyst was successfully prepared. The catalyst exhibits high and stable catalytic activity for the Baeyer-Villiger oxidation reaction with air as oxidant. Furthermore, the selectivity can reach nearly 100 %. Meanwhile the catalyst can be easily separated by an external magnet and reused at least up to five cycles without any notable loss in catalytic activity. In addition, the effect of Sn and Cu on the oxidation of cyclohexanone is discussed.

Ross et al.

, p. 4088 (1967)

Catalysis of reaction between ozone and 4-hydroxytoluene in acetic anhydride

Galstyan, A. G.,Sedykh, A. A.,Galstyan, G. A.

, p. 1510 - 1514 (2014)

Kinetics and products of 4-hydroxytoluene oxidation with ozone-air mixture in the presence of transition metal acetates as catalysts have been studied. Main steps of the catalytic series have been considered, and a mechanism of redox catalysis has been proposed which conforms to the experimental data and enables control over the direction, depth, and selectivity of the oxidation. Only manganese(II) acetate has been found to exhibit high catalytic activity in the presence of catalytic amounts of mineral acids. Manganese(II) acetate largely suppresses electrophilic reaction of ozone with the aromatic ring, so that the main reaction direction is oxidation of the methyl group with formation of 4-acetoxybenzyl acetate as the major product (62.6%) and 4-acetoxybenzylidene diacetate as a minor one (10.2%).

New synthesis of 4-methoxyisophthalic acid

Liu,Yan,Wang,Li,Liu

, p. 459 - 461 (2017)

A new synthetic route to 4-methoxyisophthalic acid, the key intermediate in the synthesis of Picotamide, is reported. The new protocol starts from commercially available and cheap 4-methylphenol and includes four steps: esterification, Fries rearrangement, methylation, and oxidation; the overall yield is 49%. Unlike the traditional Blanc chloromethylation/oxidation scheme, the proposed procedure avoids using volatile and corrosive hydrochloric acid.

Theoretical and experimental studies on selective oxidation of aromatic ketone by performic acid

Liu, Bo,Meng, Xiang-Guang,Li, Wei-Yi,Zhou, Liang-Chun,Hu, Chang-Wei

, p. 2920 - 2926 (2012)

The Baeyer-Villiger (B-V) reactions of 3,4-dimethoxy acetophenone (DMOAP), 4-methyl acetophenone (MAP), and acetophenone (AP) with performic acid (PFA) in formic acid (FA) solvent have been studied by density functional theory (DFT) method. The noncatalyzed and the formic acid-catalyzed reaction paths have been calculated at the MPWB1K/6-311++G(d,p)-IEF-PCM// MPWB1K/6-311G(d,p) level of theory. On the basis of the calculations, the attack of peracid to the carbonyl carbon is rate-determining in both the noncatalyzed and acid-catalyzed paths. The selective oxidation of 3,4-dimethoxy acetophenone and 4-methyl acetophenone by performic acid into aromatic esters have been experimentally investigated. The kinetic rate constants were obtained in the temperature range of 303 to 323 K. The selectivity of product was also explained by the NBO electric charge analysis. The calculated activation energy barriers of the B-V reaction of DMOAP and MAP were in good agreement with those of experiment.

An efficient method to prepare aryl acetates by the carbonylation of aryl methyl ethers or phenols

Zhang, Dejin,Yang, Guoqiang,Xiong, Junping,Liu, Jia,Hu, Xingbang,Zhang, Zhibing

, p. 2683 - 2687 (2021/02/16)

Synthesis of valuable chemicals from lignin based compounds is critical for the application of biomass. Here, we develop a method of preparing aryl acetates by the carbonylation of aryl methyl ethers or phenols under low CO pressure. Good to excellent yields of aryl acetates were obtained using different substrates, and a possible reaction mechanism was proposed by conducting a series of control experiments. This method may provide a potential way for the utilization of lignin.

Method for promoting acylation of amine or alcohol by carbon dioxide

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Paragraph 0034-0035, (2021/05/29)

The invention relates to a method for promoting acylation of amine or alcohol by carbon dioxide, which comprises the following steps of: mixing an amine compound, carboxylate or thiocarboxylate compound and a reaction solvent under the action of carbon dioxide, and reacting to obtain an amide compound, or under the action of carbon dioxide, mixing the alcohol compound, the thiocarboxylate compound and the reaction solvent [gamma]-valerolactone, and reacting to obtain the ester compound. According to the invention, under the promotion action of carbon dioxide, carboxylate or thiocarboxylate is used as an acylation reagent, and amine and alcohol are converted into amide and ester compounds in the absence of a transition metal catalyst, so that acylation reagents such as acyl chloride or anhydride with irritation and corrosivity are avoided; and the method has the advantages of simple operation, mild reaction conditions, high tolerance of substrate functional groups, strong applicability and high yield, and provides an efficient, reliable and economical preparation method for synthesis of amide and ester compounds.

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