Methyl 2-methyl-2-phenylpropanoate

Base Information

• Chemical Name: Methyl 2-methyl-2-phenylpropanoate
• CAS No.: 57625-74-8
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• European Community (EC) Number: 805-721-1
• DSSTox Substance ID: DTXSID60206288
• Nikkaji Number: J359.995G
• Wikidata: Q72490264
• Mol file: 57625-74-8.mol

Synonyms:methyl 2-methyl-2-phenylpropanoate;57625-74-8;METHYL 2,2-DIMETHYLPHENYLACETATE;MFCD01846451;Benzeneacetic acid, alpha,alpha-dimethyl-, methyl ester;2-methyl-2-phenyl-propionic acid methyl ester;EC 805-721-1;methyl 2-methyl-2-phenyl-propanoate;methyl phenylisobutyrate;SCHEMBL728471;Ethyl2,2-dimethylphenylacetate;DTXSID60206288;methyl2-methyl-2-phenylpropanoate;methyl 2-methyl-2-phenylpropionate;methyl-2-methyl-2-phenylpropanoate;BCP25294;2-Phenylisobutyric acid methyl ester;Methyl 2,2-dimethyl-2-phenylacetate;Methyl-2-methyl-2 phenyl-propanoate;AKOS004908111;methyl 2-(2,3-dimethylphenyl)acetate;CS-W007095;2-methyl-2-phenyl propanoic methyl ester;AC-15244;DS-14572;SY002717;2-Methyl-2-phenylpropanoic acid methyl ester;AM20040755;FT-0715211;EN300-247059;alpha,alpha-dimethyl-phenylacetic acid methyl ester;Benzeneacetic acid, .alpha.,.alpha.-dimethyl-, methyl ester

Chemical Property of Methyl 2-methyl-2-phenylpropanoate

Chemical Property:

• Vapor Pressure: 0.0666mmHg at 25°C
• Boiling Point: 230.2°C at 760 mmHg
• Flash Point: 92.2°C
• PSA: 26.30000
• Density: 1.012g/cm³
• LogP: 2.13720
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

MethylDimethylbenzeneacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1)C(=O)OC
• Uses: Methyl Dimethylbenzeneacetate (cas# 57625-74-8) is a compound useful in organic synthesis.

Technology Process of Methyl 2-methyl-2-phenylpropanoate

There total 49 articles about Methyl 2-methyl-2-phenylpropanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.5%

methanol (67-56-1) + 2-methyl-2-phenylpropionic acid (826-55-1) → methyl 2-methyl-2-phenylpropionate (57625-74-8)

Guidance literature:

With sulfuric acid; at 20 - 70 ℃; for 21.5h; Inert atmosphere;

Reference yield: 92.0%

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + chlorobenzene (108-90-7) → methyl 2-methyl-2-phenylpropionate (57625-74-8)

Guidance literature:

Methyl isobutyrate; With sodium hexamethyldisilazane; In toluene; at 20 ℃; for 0.166667h; Inert atmosphere;

chlorobenzene; With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); In toluene; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol800258u

Reference yield: 92.0%

d(4)-methanol (811-98-3) + 2-(2-bromophenyl)-2-methylpropionaldehyde (212626-89-6) → methyl 2-methyl-2-phenylpropionate (57625-74-8)

Guidance literature:

With 2BF₄⁽¹⁺⁾*C₂₇H₅₀P₂*2H⁽¹⁺⁾; palladium diacetate; caesium carbonate; In toluene; at 60 ℃; for 14h; Inert atmosphere;

DOI:10.1002/adsc.201100140

upstream raw materials:

methacrylic acid methyl ester

benzene

diazomethane

2-methyl-2-phenylpropionic acid

Downstream raw materials:

methyl 2-(4-chlorocarbonylphenyl)-2-methylpropanoate

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

4-amino-5-(2-phenylpropan-2-yl)-4H-[1,2,4]-triazole-3-thiol

C₂₀H₁₇N₅S

Refernces

• 1、 Shimizu, Hiroaki,Yoshinaga, Kohei,Yokoshima, Satoshi. "Nitrone Formation by Reaction of an Enolate with a Nitro Group". supporting information. p. 2704 - 2709. Retrieved 2021/04/12.
• 2、 Alkayal, Anas,Buckley, Benjamin R.,Malkov, Andrei V.,Montanaro, Stephanie,Tabas, Volodymyr,Wright, Iain A.. "Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins". supporting information. . Retrieved 2020/02/13.