tert-Butylisobutyrate

Base Information

• Chemical Name: tert-Butylisobutyrate
• CAS No.: 16889-72-8
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Mol file: 16889-72-8.mol

Synonyms:Isobutyricacid, tert-butyl ester (6CI,7CI,8CI); tert-Butyl 2-methylpropanoate; tert-Butyl2-methylpropionate; tert-Butyl isobutyrate

Chemical Property of tert-Butylisobutyrate

Chemical Property:

• Boiling Point: 127.0-128.3 °C
• PSA: 26.30000
• Density: 0.876±0.06 g/cm3(Predicted)
• LogP: 1.98410

Purity/Quality:

98%Min ^*data from raw suppliers

tert-butyl2-methylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butylisobutyrate

There total 23 articles about tert-Butylisobutyrate 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: 75.0%

tert-Butyl methacrylate (585-07-9,25189-00-8) → tert-butyl 2-methylpropanoate (16889-72-8)

Guidance literature:

With [MgBr](1+*[n-Bu₂SnBrIH]^(1-); In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/jo016081e

Reference yield: 75.0%

isobutyric Acid (79-31-2) + tert-butyl alcohol (75-65-0) → tert-butyl 2-methylpropanoate (16889-72-8)

Guidance literature:

With di-tert-butyl dicarbonate; 4-pyrrolidin-1-ylpyridine; triethylamine; In 1,4-dioxane; at -20 - 20 ℃; Kinetics;

DOI:10.1002/adsc.200800268

Reference yield: 67.0%

isobutyryl chloride (79-30-1) + tert-butyl alcohol (75-65-0) → tert-butyl 2-methylpropanoate (16889-72-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; for 18h;

upstream raw materials:

isobutyryl chloride

tert-butyl alcohol

isobutyric Acid

1-(1H-imidazol-1-yl)-2-methylpropan-1-one

Downstream raw materials:

tert-butyl 2,2-dimethyl-3-oxo-3-phenylpropanoate

tert-butyl 2-methyl-2-phenylpropionate

methoxybenzene

t-butyl 2,2-dimethyl-3-diphenylphosphatoxyheptanoate

Refernces

• 1、 -. "AMINO ACIDS". Paragraph 00183-00184. . Retrieved 2022/02/05.
• 2、 -. "HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS". Page/Page column 73-74. . Retrieved 2021/06/26.