1-methyl-1-phenylethyl isobutyrate

Base Information

• Chemical Name: 1-methyl-1-phenylethyl isobutyrate
• CAS No.: 7774-60-9
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• Mol file: 7774-60-9.mol

Synonyms:Isobutyricacid, a,a-dimethylbenzyl ester (8CI); Benzyl alcohol, a,a-dimethyl-, isobutyrate (8CI); a,a-Dimethylbenzyl isobutyrate

Chemical Property of 1-methyl-1-phenylethyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Boiling Point: 260.216°C at 760 mmHg
• Flash Point: 93.23°C
• PSA: 26.30000
• Density: 0.985g/cm³
• LogP: 3.12090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-methyl-1-phenylethyl isobutyrate

There total 2 articles about 1-methyl-1-phenylethyl isobutyrate 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%

1-methyl-1-phenylethyl alcohol (617-94-7) + 2-Methylpropionic anhydride (97-72-3) → α,α-dimethylbenzyl 2-methylpropanoate (7774-60-9)

Guidance literature:

With triethylamine; magnesium bromide; In dichloromethane; at 20 ℃; for 0.416667h;

DOI:10.1021/jo9609485

Reference yield:

1-methyl-1-phenylethyl alcohol (617-94-7) + isobutyryl chloride (79-30-1) → α,α-dimethylbenzyl 2-methylpropanoate (7774-60-9)

Guidance literature:

With bis(methylcyclopentadienyl) tin; Yield given. Multistep reaction; 1.) toluene, r.t., 30 min; 2.) toluene-HMPA, 100 deg C, 7 h;

DOI:10.1246/cl.1983.293

Reference yield: 99.0%

α,α-dimethylbenzyl 2-methylpropanoate (7774-60-9) + toluene-4-sulfonamide (70-55-3) → N-(α,α-dimethylbenzyl)-p-toluenesulfonamide (66898-03-1)

Guidance literature:

With dimethylethylsilane; (Ace)Ru₃(CO)7; In dichloromethane; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1002/anie.201201426

upstream raw materials:

1-methyl-1-phenylethyl alcohol

isobutyryl chloride

2-Methylpropionic anhydride

Downstream raw materials:

N-(α,α-dimethylbenzyl)-p-toluenesulfonamide

C₁₇H₂₁NO₂S

Refernces

• 1、 -. "RECYCLABLE CATALYSTS FOR ESTERIFICATION OR ACYLATION OF ALCOHOLS". Page/Page column 4. . Retrieved 2012/07/28.
• 2、 Sakakura, Akira,Kawajiri, Kimio,Ohkubo, Takuro,Kosugi, Yuji,Ishihara, Kazuaki. "Widely useful DMAP-catalyzed esterification under auxiliary base- and solvent-free conditions". . p. 14775 - 14779. Retrieved 2008/09/17.