3-BROMO-4-CYANOBENZOIC ACID

Base Information

• Chemical Name: 3-BROMO-4-CYANOBENZOIC ACID
• CAS No.: 58123-69-6
• Molecular Formula: C8H4BrNO2
• Molecular Weight: 226.029
• Hs Code.: 2926909090
• Mol file: 58123-69-6.mol

Synonyms:3-Bromo-4-cyanobenzoicAcid;3-Brom-4-chlorthieno-pyridin;

Chemical Property of 3-BROMO-4-CYANOBENZOIC ACID

Chemical Property:

• PSA: 61.09000
• LogP: 2.01898
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-cyanobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BROMO-4-CYANOBENZOIC ACID

There total 4 articles about 3-BROMO-4-CYANOBENZOIC 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: 91.0%

4-methyl-2-bromobenzonitrile (42872-73-1) → 3-bromo-4-cyanobenzoic acid (58123-69-6)

Guidance literature:

With oxygen; Langlois reagent; In acetonitrile; at 25 ℃; for 12h; Irradiation; Green chemistry;

DOI:10.1039/d0gc00383b

Reference yield: 89.0%

methyl 3-bromo-4-cyanobenzoate (942598-44-9) → 3-bromo-4-cyanobenzoic acid (58123-69-6)

Guidance literature:

methyl 3-bromo-4-cyanobenzoate; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrogenchloride; water; pH=3 - 4;

Reference yield:

methyl 4-amino-3-bromobenzoate (106896-49-5) → 3-bromo-4-cyanobenzoic acid (58123-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tert.-butylnitrite; boron trifluoride diethyl etherate / dichloromethane; water / 4 h / -10 - 20 °C

1.2: 1.67 h / 0 - 60 °C

2.1: methanol; sodium hydroxide; water / tetrahydrofuran / 2 h / 20 °C

2.2: pH 3 - 4

With methanol; sodium hydroxide; tert.-butylnitrite; boron trifluoride diethyl etherate; water; In tetrahydrofuran; dichloromethane; water;

upstream raw materials:

methyl 3-bromo-4-cyanobenzoate

methyl 4-amino-3-bromobenzoate

4-methyl-2-bromobenzonitrile

Downstream raw materials:

2-bromo-4-((tert-butyldimethylsilyloxy)methyl)benzonitrile

2-bromo-4-(hydroxymethyl)benzonitrile

5-((tert-butyldimethylsilyloxy)methyl)-2-cyanobenzoic acid

4-(((tert-butyldimethylsilyl)oxy)methyl)-2-formylbenzonitrile