Butanoic acid, 2-bromo-2-methyl-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-bromo-2-methyl-, ethyl ester
• CAS No.: 5398-71-0
• Molecular Formula: C7H13BrO2
• Molecular Weight: 209.083
• Hs Code.: 2915900090
• Mol file: 5398-71-0.mol

Synonyms:Butyric acid, 2-bromo-2-methyl-, ethyl ester (8CI);NSC 4543;Ethyl 2-bromo-2-methylbutanoate;Ethyl α-bromo-α-methylbutyrate;

Chemical Property of Butanoic acid, 2-bromo-2-methyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.844mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 181.617 °C at 760 mmHg
• Flash Point: 70.938 °C
• PSA: 26.30000
• Density: 1.3 g/cm³
• LogP: 2.11310

Purity/Quality:

99%, ^*data from raw suppliers

2-BROMO-2-METHYLBUTANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butanoic acid, 2-bromo-2-methyl-, ethyl ester

There total 6 articles about Butanoic acid, 2-bromo-2-methyl-, ethyl ester 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: 81.0%

ethyl 2-methylbutyrate (7452-79-1,53956-13-1) → 2-bromo-2-ethyl-2-methyl acetic acid ethyl ester (5398-71-0)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 80 ℃; for 3h; Inert atmosphere;

Reference yield:

2-Methylbutanoic acid (116-53-0,600-07-7) + ethanol (64-17-5) → 2-bromo-2-ethyl-2-methyl acetic acid ethyl ester (5398-71-0)

Guidance literature:

Multistep reaction; (i) Br₂, PBr₃, (ii) /BRN= 1718733/;

DOI:10.1021/ja00821a045

Reference yield:

ethanol (64-17-5) + 2-bromo-2-methyl-butyric acid (95338-79-7,41242-50-6,54267-64-0,54267-65-1) → 2-bromo-2-ethyl-2-methyl acetic acid ethyl ester (5398-71-0)

Guidance literature:

2-bromo-2-methyl-butyric acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

ethanol; With N-ethyl-N,N-diisopropylamine; at 20 ℃; for 20h;

DOI:10.1021/jm701551j

upstream raw materials:

3-methylbutyric acid

2-Methylbutanoic acid

ethanol

3-Bromo-3-methyl-2-oxo-pentanenitrile

Downstream raw materials:

beclobrate

2-(1-adamantylamino)-5-ethyl-5-methyl-1,3-thiazol-4(5H)-one

2-(cyclohexylamino)-5-ethyl-5-methyl-1,3-thiazol-4(5H)-one

2-((cyclohexylmethyl)amino)-5-ethyl-5-methyl-1,3-thiazol-4(5H)-one

Refernces

• 1、 -. "Method for preparing high-purity kerley Bette". Paragraph 0033; 0035. . Retrieved 2016/10/07.
• 2、 Johansson, Lars,Fotsch, Christopher,Bartberger, Michael D.,Castro, Victor M.,Chen, Michelle,Emery, Maurice,Gustafsson, Sonja,Hale, Clarence,Hickman, Dean,Homan, Evert,Jordan, Steven R.,Komorowski, Renee,Li, Aiwen,McRae, Kenneth,Moniz, George,Matsumoto, Guy,Orihuela, Carlos,Palm, Gunnar,Veniant, Murielle,Wang, Minghan,Williams, Meredith,Zhang, Jiandong. "2-Amino-1,3-thiazol-4(5H)-ones as potent and selective 11β- hydroxysteroid dehydrogenase type 1 inhibitors: Enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice". experimental part. p. 2933 - 2943. Retrieved 2009/04/10.