5-bromo-2-isobutoxy benzonitirle

Base Information

• Chemical Name: 5-bromo-2-isobutoxy benzonitirle
• CAS No.: 876918-26-2
• Molecular Formula: C11H12BrNO
• Molecular Weight: 254.126
• Mol file: 876918-26-2.mol

Synonyms:5-BROMO2-ISOBUTOXYBENZONITIRLE;

Chemical Property of 5-bromo-2-isobutoxy benzonitirle

Chemical Property:

• PSA: 33.02000
• LogP: 3.35558

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-isobutoxybenzonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-bromo-2-isobutoxy benzonitirle

There total 13 articles about 5-bromo-2-isobutoxy benzonitirle 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: 98.0%

Isobutyl iodide (513-38-2) + 5-bromo-2-hydroxybenzonitrile (40530-18-5) → 5-bromo-2-isobutoxy-benzonitrile (876918-26-2)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Reflux;

DOI:10.1002/ejoc.201402817

Reference yield: 97.0%

Isobutyl bromide (78-77-3) + 5-bromo-2-hydroxybenzonitrile (40530-18-5) → 5-bromo-2-isobutoxy-benzonitrile (876918-26-2)

Guidance literature:

5-bromo-2-hydroxybenzonitrile; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Isobutyl bromide; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

Reference yield: 96.0%

2-isobutoxybenzonitrile → 5-bromo-2-isobutoxy-benzonitrile (876918-26-2)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; In acetonitrile; at 40 - 60 ℃; for 6h; Temperature; Green chemistry;

upstream raw materials:

Isobutyl bromide

5-bromo-2-hydroxybenzonitrile

5-bromo-2-isobutoxybenzaldehyde

2-methyl-propan-1-ol

Downstream raw materials:

febuxostat

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

C₂₂H₂₄N₂O₂

diethyl 4,4?-dimethyl-2,2?-bithiazole-5,5?-dicarboxylate

Refernces

• 1、 -. "Phenylimidazole XOR (Xanthine Oxidoreductase) inhibitor and preparation and application thereof". Paragraph 0070-0072. . Retrieved 2019/09/17.
• 2、 Dohi, Masahiko,Kato, Yoshiaki,Komiyama, Masato,Kurokawa, Masayuki,Minamizono, Kunio,Sato, Yoshinori,Teramoto, Mitsuru,Tsuchiya, Hideyoshi,Tsuchiya, Naoki,Yajima, Naoki. "Process Development of Febuxostat Using Palladium- and Copper-Catalyzed C-H Arylation". . p. 1306 - 1311. Retrieved 2018/09/21.