2-bromo-3,3-dimethylbutanoic acid

Base Information

• Chemical Name: 2-bromo-3,3-dimethylbutanoic acid
• CAS No.: 50364-40-4
• Molecular Formula: C6H11 Br O2
• Molecular Weight: 195.056
• Mol file: 50364-40-4.mol

Synonyms:Butyricacid, 2-bromo-3,3-dimethyl- (7CI); (?à)-2-Bromo-3,3-dimethylbutanoicacid; (?à)-2-Bromo-3,3-dimethylbutyric acid; 2-Bromo-3,3-dimethylbutanoic acid;2-Bromo-3,3-dimethylbutyric acid; NSC 227913; a-Bromo-tert-butylaceticacid

Chemical Property of 2-bromo-3,3-dimethylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Boiling Point: 232.7°Cat760mmHg
• Flash Point: 94.6°C
• Density: 1.436g/cm³

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-bromo-3,3-dimethylbutanoic acid

There total 6 articles about 2-bromo-3,3-dimethylbutanoic acid 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:

tert-Butylacetic acid (1070-83-3) → 2-bromo-2-tert-butyl acetic acid (50364-40-4)

Guidance literature:

With bromine; phosphorus trichloride; at 60 - 70 ℃; dann auf 100grad;

DOI:10.1021/ja01337a055

Reference yield:

2-amino-3,3-dimethylbutanoic acid (33105-81-6) → 2-bromo-2-tert-butyl acetic acid (50364-40-4)

Guidance literature:

2-amino-3,3-dimethylbutanoic acid; With hydrogen bromide; In water; at 0 ℃; for 0.166667h;

With sodium nitrite; In water; at 0 - 20 ℃; for 3.5h;

DOI:10.1016/j.ejmech.2018.04.034

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 2-bromo-2-tert-butyl acetic acid (50364-40-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Cr₂O₃-H₂SO₄

2: NaOBr

3: PCl₃; bromine / 60 - 70 °C / dann auf 100grad

With chromium(III) oxide; sodium hypobromide; sulfuric acid; bromine; phosphorus trichloride;

DOI:10.1021/ja01337a055

upstream raw materials:

tert-Butylacetic acid

bromo-2 dimethyl-3,3 morpholino-1 butene-1

2,4,4-trimethyl-1-pentene

4,4-dimethyl-pentan-2-one

Downstream raw materials:

2-hydroxy-3,3-dimethylbutanoic acid

t-butyl(phenylthio)acetate

methyl 2-t-butyl-3-hydroxy-3-phenylpropionate

4-amino-3-mercapto-6-tert-butyl-1,2,4-triazin-5-one

Refernces

• 1、 Xue, Xiaoqian,Zhang, Yan,Wang, Chao,Zhang, Maofeng,Xiang, Qiuping,Wang, Junjian,Wang, Anhui,Li, Chenchang,Zhang, Cheng,Zou, Lingjiao,Wang, Rui,Wu, Shuang,Lu, Yongzhi,Chen, Hongwu,Ding, Ke,Li, Guohui,Xu, Yong. "Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer". supporting information. p. 542 - 559. Retrieved 2018/05/24.