Product Name

  • Name

    Methyl 2,2-dimethylphenylacetate

  • EINECS
  • CAS No. 57625-74-8
  • Article Data62
  • CAS DataBase
  • Density 1.012g/cm3
  • Solubility
  • Melting Point
  • Formula C11H14 O2
  • Boiling Point 230.2°C at 760 mmHg
  • Molecular Weight 178.231
  • Flash Point 92.2°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57625-74-8 (Methyl 2,2-dimethylphenylacetate)
  • Hazard Symbols
  • Synonyms Hydratropicacid, a-methyl-, methyl ester (6CI);2-Methyl-2-phenylpropanoic acid methyl ester; 2-Methyl-2-phenylpropionic acidmethyl ester; Methyl 2,2-dimethyl-2-phenylacetate; Methyl2-methyl-2-phenylpropanoate; Methyl 2-methyl-2-phenylpropionate; Methyl a,a-dimethylphenylacetate
  • PSA 26.30000
  • LogP 2.13720

Synthetic route

methanol
67-56-1

methanol

2-methyl-2-phenylpropionic acid
826-55-1

2-methyl-2-phenylpropionic acid

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With sulfuric acid at 20 - 70℃; for 21.5h; Inert atmosphere;99.5%
With sulfuric acid at 70℃; for 12h;94%
With sulfuric acid Heating;
benzeneacetic acid methyl ester
101-41-7

benzeneacetic acid methyl ester

methyl iodide
74-88-4

methyl iodide

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 24h;95%
Stage #1: benzeneacetic acid methyl ester; methyl iodide With sodium hydride In tetrahydrofuran at 0 - 25℃; for 18h;
Stage #2: With acetic acid In tetrahydrofuran at 0℃;
85%
Stage #1: benzeneacetic acid methyl ester; methyl iodide With sodium hydride In tetrahydrofuran at 0 - 25℃; for 18h;
Stage #2: With acetic acid In tetrahydrofuran
85%
Methyl isobutyrate
547-63-7

Methyl isobutyrate

chlorobenzene
108-90-7

chlorobenzene

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
Stage #1: Methyl isobutyrate With sodium hexamethyldisilazane In toluene at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: chlorobenzene With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I) In toluene at 100℃; for 4h; Inert atmosphere;
92%
d(4)-methanol
811-98-3

d(4)-methanol

2-(2-bromophenyl)-2-methylpropionaldehyde
212626-89-6

2-(2-bromophenyl)-2-methylpropionaldehyde

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 2BF4(1+)*C27H50P2*2H(1+); palladium diacetate; caesium carbonate In toluene at 60℃; for 14h; Inert atmosphere;92%
bromobenzene
108-86-1

bromobenzene

1-methoxy-2-methyl-1-trimethylsiloxy-1-propene
31469-15-5

1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With zinc(II) fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 80℃; for 12h;91%
With zinc(II) fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 80℃; for 12h; Product distribution; Further Variations:; Solvents; Reagents;93 % Chromat.
methanol
67-56-1

methanol

2-(2-bromophenyl)-2-methylpropionaldehyde
212626-89-6

2-(2-bromophenyl)-2-methylpropionaldehyde

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 2BF4(1+)*C27H50P2*2H(1+); palladium diacetate; caesium carbonate In toluene at 60℃; for 14h; Inert atmosphere;91%
2-methyl-2-phenylpropionic acid
826-55-1

2-methyl-2-phenylpropionic acid

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 90℃; for 16h; Inert atmosphere; Green chemistry;91%
methanol
67-56-1

methanol

2-bromo-2-methyl-1-phenyl-propan-1-one
10409-54-8

2-bromo-2-methyl-1-phenyl-propan-1-one

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With silver hexafluoroantimonate for 2h; Ambient temperature; further reagent: Ag2CO3;90%
With silver nitrate
With zinc dibromide at 115℃; for 5h; Addition; Rearrangement;
methyl 6-methoxy-2-naphthylacetate
23981-48-8

methyl 6-methoxy-2-naphthylacetate

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

A

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

B

methyl 2-(6-methoxy-2-naphthyl)propionate
30012-51-2

methyl 2-(6-methoxy-2-naphthyl)propionate

Conditions
ConditionsYield
With potassium carbonate at 220℃; for 6h;A n/a
B 90%
bromobenzene
108-86-1

bromobenzene

Methyl isobutyrate
547-63-7

Methyl isobutyrate

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 18h;87%
carbon dioxide
124-38-9

carbon dioxide

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

isopropenylbenzene
98-83-9

isopropenylbenzene

A

3-phenyl-butyric acid methyl ester
3461-39-0

3-phenyl-butyric acid methyl ester

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
Stage #1: carbon dioxide; isopropenylbenzene With triethanolamine; tetraethylammonium iodide In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 3.5h; Electrochemical reaction;
Stage #2: diazomethyl-trimethyl-silane In methanol; toluene for 0.666667h; regioselective reaction;
A 85%
B n/a
N-methoxy-2-methyl-2-phenylpropionamide
1072809-89-2

N-methoxy-2-methyl-2-phenylpropionamide

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 85℃; for 1.5h; Electrolysis;83%
phenyl isopropyl ketone
611-70-1

phenyl isopropyl ketone

trimethyl orthoformate
149-73-5

trimethyl orthoformate

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With poly[4-(diacetoxyiodo)styrene]; sulfuric acid In acetonitrile at 60℃; for 0.5h;81%
methyl 3-bromo-2-methyl-2-phenylpropanoate
84782-16-1

methyl 3-bromo-2-methyl-2-phenylpropanoate

A

3-phenyl-butyric acid methyl ester
3461-39-0

3-phenyl-butyric acid methyl ester

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With titanium(IV) tetraethanolate; tetraethylammonium tosylate In N,N-dimethyl-formamide electroreduction (lead cathode, carbon rod anode, 4-5 F/mol);A 80%
B 5%
carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

benzeneacetic acid methyl ester
101-41-7

benzeneacetic acid methyl ester

A

2-phenylpropionic acid methyl ester
31508-44-8

2-phenylpropionic acid methyl ester

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With potassium carbonate at 220℃; for 8h;A 80%
B n/a
methanol
67-56-1

methanol

carbon monoxide
201230-82-2

carbon monoxide

isopropenylbenzene
98-83-9

isopropenylbenzene

A

3-phenyl-butyric acid methyl ester
3461-39-0

3-phenyl-butyric acid methyl ester

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 5-chloro-2-hydroxybenzoic acid; boric acid; Tri(p-tolyl)phosphine; palladium diacetate under 31028.9 Torr; for 48h; Heating;A 74%
B n/a
With trifluromethanesulfonate[bis(1-naphthyl)diphenylphosphine]palladium(II); toluene-4-sulfonic acid In 1,2-dichloro-ethane at 75℃; for 24h; Reagent/catalyst; Inert atmosphere; High pressure; chemoselective reaction;
methacrylic acid methyl ester
80-62-6

methacrylic acid methyl ester

benzene
71-43-2

benzene

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 1,1,1,3',3',3'-hexafluoro-propanol at 20℃;70%
With aluminium trichloride
2-(2-bromophenyl)-2-methylpropionaldehyde
212626-89-6

2-(2-bromophenyl)-2-methylpropionaldehyde

butan-1-ol
71-36-3

butan-1-ol

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 2BF4(1+)*C27H50P2*2H(1+); palladium diacetate; caesium carbonate In toluene at 60℃; for 14h; Inert atmosphere;70%
N-[1-Methoxy-2-methyl-2-phenyl-prop-(Z)-ylidene]-4-methyl-benzenesulfonamide

N-[1-Methoxy-2-methyl-2-phenyl-prop-(Z)-ylidene]-4-methyl-benzenesulfonamide

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With sulfuric acid In methanol for 9h; Heating;68%
dihydroxy-methyl-borane
13061-96-6

dihydroxy-methyl-borane

2-methyl-2-phenylpropionic acid
826-55-1

2-methyl-2-phenylpropionic acid

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With pyridine; copper (II) carbonate hydroxide at 90℃; for 24h; Chan-Lam Coupling;65%
methyl 2-dimethylbismuthanyl-2-methylpropanoate
934733-52-5

methyl 2-dimethylbismuthanyl-2-methylpropanoate

iodobenzene
591-50-4

iodobenzene

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
Stage #1: methyl 2-dimethylbismuthanyl-2-methylpropanoate In tetrahydrofuran at -78℃; for 0.5h;
Stage #2: iodobenzene With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 24h;
48%
methanol
67-56-1

methanol

phenyl isopropyl ketone
611-70-1

phenyl isopropyl ketone

trimethyl orthoformate
149-73-5

trimethyl orthoformate

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With iodine; silver nitrate for 5h; Heating;17%
2-methyl-2-phenylpropionic acid
826-55-1

2-methyl-2-phenylpropionic acid

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

2-phenylpropionic acid methyl ester
31508-44-8

2-phenylpropionic acid methyl ester

methyl iodide
74-88-4

methyl iodide

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
(i) NaNH2, liq. NH3, (ii) /BRN= 969135/; Multistep reaction;
With n-butyllithium; ammonium chloride; diisopropylamine In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; water
Stage #1: 2-phenylpropionic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 1h; Schlenk technique; Inert atmosphere;
Stage #2: methyl iodide In tetrahydrofuran at -78 - 20℃; Schlenk technique; Inert atmosphere;
methanol
67-56-1

methanol

2-bromo-2-methyl-1-phenyl-propan-1-one
10409-54-8

2-bromo-2-methyl-1-phenyl-propan-1-one

A

2-methoxy-2-methyl-1-phenyl-1-propanone
59671-36-2

2-methoxy-2-methyl-1-phenyl-1-propanone

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With zinc dibromide at 115℃; for 4h;
methanol
67-56-1

methanol

2-methyl-2-phenylpropanoyl chloride
36293-05-7

2-methyl-2-phenylpropanoyl chloride

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
for 1h; Heating; Yield given;
α,α,α',α'-teteramethyldibenzyl ketone
71254-82-5

α,α,α',α'-teteramethyldibenzyl ketone

A

3-phenyl-butyric acid methyl ester
3461-39-0

3-phenyl-butyric acid methyl ester

B

2-isopropylbenzoic acid
2438-04-2

2-isopropylbenzoic acid

C

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

D

2-methyl-2,5-diphenyl-3-hexanone
71302-96-0

2-methyl-2,5-diphenyl-3-hexanone

E

2,6-diphenyl-4-heptanone
66164-33-8

2,6-diphenyl-4-heptanone

F

1-o-cumyl-3-phenyl-1-butanone
129976-23-4

1-o-cumyl-3-phenyl-1-butanone

Conditions
ConditionsYield
With t-butoxide In tert-butyl alcohol at 185℃; Product distribution;
phenylacetonitrile
140-29-4

phenylacetonitrile

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

A

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

B

1-phenylethyl cyanide
1823-91-2

1-phenylethyl cyanide

Conditions
ConditionsYield
With polyethylene glycol (PEG 6000); potassium carbonate at 180℃; Product distribution; Mechanism; further bases, solvents;
methyl 3-bromo-2-methyl-2-phenylpropanoate
84782-16-1

methyl 3-bromo-2-methyl-2-phenylpropanoate

A

methyl 2-methyl-3-phenylpropionate
29393-16-6, 38574-62-8, 78964-60-0, 29417-83-2

methyl 2-methyl-3-phenylpropionate

B

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 4h; Heating; Yield given. Yields of byproduct given;
With ammonium iodide; copper; zinc In methanol Product distribution; Ambient temperature;A 30 % Spectr.
B 60 % Spectr.
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene at 61℃; Product distribution; Kinetics;
2-methyl-2,4-diphenyl-3-pentanone
71254-83-6

2-methyl-2,4-diphenyl-3-pentanone

A

3-phenyl-butyric acid methyl ester
3461-39-0

3-phenyl-butyric acid methyl ester

B

2-isopropylbenzoic acid
2438-04-2

2-isopropylbenzoic acid

C

2-phenylpropionic acid methyl ester
31508-44-8

2-phenylpropionic acid methyl ester

D

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

E

1-(2-Isopropyl-phenyl)-2-phenyl-propan-1-one
71254-87-0

1-(2-Isopropyl-phenyl)-2-phenyl-propan-1-one

F

2,5-diphenyl-3-hexanone
71254-85-8, 71254-86-9

2,5-diphenyl-3-hexanone

Conditions
ConditionsYield
With t-butoxide In tert-butyl alcohol at 185℃; Product distribution;
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

2-methyl-2-phenyl-propan-1-ol
2173-69-5

2-methyl-2-phenyl-propan-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 3h;99%
With sodium tetrahydroborate In tetrahydrofuran at 20℃;92%
With lithium aluminium tetrahydride In diethyl ether at 0℃;
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

2-methyl-2-phenyl propanoyl hydrazide
5809-15-4

2-methyl-2-phenyl propanoyl hydrazide

Conditions
ConditionsYield
With hydrazine hydrate for 6.5h; Heating;99%
With hydrazine hydrate In methanol for 6h; Reflux;73%
With hydrazine In ethanol for 6h; Reflux;73%
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

2-methyl-2-phenylpropionic acid
826-55-1

2-methyl-2-phenylpropionic acid

Conditions
ConditionsYield
With water; sodium hydroxide In 1,4-dioxane for 24h;98%
With sodium hydroxide In methanol; water for 4h; Ambient temperature; Yield given;
With sodium hydroxide; water In methanol at 80℃; for 12h; Hydrolysis;
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

diisopropylamine
108-18-9

diisopropylamine

α,α-dimethylphenylacetyldiisopropylamine

α,α-dimethylphenylacetyldiisopropylamine

Conditions
ConditionsYield
at 20℃;92%
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

acetyl chloride
75-36-5

acetyl chloride

methyl 2-(4-acetylphenyl)isobutyrate

methyl 2-(4-acetylphenyl)isobutyrate

Conditions
ConditionsYield
Stage #1: methyl 2-methyl-2-phenylpropionate With aluminum (III) chloride In carbon disulfide at 0 - 10℃; for 0.5h; Inert atmosphere;
Stage #2: acetyl chloride In carbon disulfide at 0 - 40℃; for 21.3333h; Temperature;
91.8%
1,5-dibromo-pentane
111-24-0

1,5-dibromo-pentane

methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

C15H22O

C15H22O

Conditions
ConditionsYield
With magnesium In tetrahydrofuran at 0 - 20℃; for 5h;89%
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

methyl iodide
74-88-4

methyl iodide

2,3-dimethyl-3-phenylbutan-2-ol
2371-91-7

2,3-dimethyl-3-phenylbutan-2-ol

Conditions
ConditionsYield
magnesium In diethyl ether for 3h; Heating;81%
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

dimethyl methane phosphonate
756-79-6

dimethyl methane phosphonate

A

dimethyl 3-methyl-2-oxo-3-phenylbuthylphosphonate

dimethyl 3-methyl-2-oxo-3-phenylbuthylphosphonate

B

dimethyl 3-methyl-2-oxo-3-phenylbutylphosphonate
87929-30-4

dimethyl 3-methyl-2-oxo-3-phenylbutylphosphonate

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; water; ethyl acetateA 75.7%
B n/a
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

dimethyl methane phosphonate
756-79-6

dimethyl methane phosphonate

dimethyl 3-methyl-2-oxo-3-phenylbutylphosphonate
87929-30-4

dimethyl 3-methyl-2-oxo-3-phenylbutylphosphonate

Conditions
ConditionsYield
Stage #1: dimethyl methane phosphonate With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h;
Stage #2: methyl 2-methyl-2-phenylpropionate In tetrahydrofuran; hexane at -78℃; for 2.16667h;
65%
methyl 2-methyl-2-phenylpropionate
57625-74-8

methyl 2-methyl-2-phenylpropionate

acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

(E)-methyl 3-(2-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl)acrylate

(E)-methyl 3-(2-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl)acrylate

Conditions
ConditionsYield
With (S)-acetamidoalanine; palladium diacetate; silver nitrate at 80℃; for 24h; chemoselective reaction;65%

Methyl 2,2-dimethylphenylacetate Chemical Properties

Molecular Structure of Methyl 2,2-dimethylphenylacetate (CAS NO.57625-74-8):

Molecular Formula: C11H14O2
Molecular Weight: 178.2277
IUPAC Name: Methyl 2-methyl-2-phenylpropanoate
Synonyms of Methyl 2,2-dimethylphenylacetate (CAS NO.57625-74-8): Benzeneacetic acid, alpha,alpha-dimethyl-, methyl ester ; Methyl 2-methyl-2-phenylpropanoate ; Methyl dimethylbenzeneacetate
CAS NO: 57625-74-8 
Index of Refraction: 1.491
Molar Refractivity: 51.04 cm3
Molar Volume: 176.1 cm3
Surface Tension: 32.2 dyne/cm
Density: 1.012 g/cm3
Flash Point: 92.2 °C
Enthalpy of Vaporization: 46.69 kJ/mol
Boiling Point: 230.2 °C at 760 mmHg
Vapour Pressure of Methyl 2,2-dimethylphenylacetate (CAS NO.57625-74-8): 0.0666 mmHg at 25°C

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View