3-Bromo-4-cyanobenzyl alcohol

Base Information

• Chemical Name: 3-Bromo-4-cyanobenzyl alcohol
• CAS No.: 90110-97-7
• Molecular Formula: C8H6 Br N O
• Molecular Weight: 212.046
• Hs Code.: 2926909090
• Mol file: 90110-97-7.mol

Synonyms:p-Tolunitrile,2-bromo-a-hydroxy- (7CI);2-Bromo-4-(hydroxymethyl)benzonitrile; NSC 149635

Chemical Property of 3-Bromo-4-cyanobenzyl alcohol

Chemical Property:

• Vapor Pressure: 2.89E-06mmHg at 25°C
• Boiling Point: 374.3°Cat760mmHg
• Flash Point: 180.1°C
• PSA: 44.02000
• Density: 1.67g/cm³
• LogP: 1.81308

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-(hydroxymethyl)benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-4-cyanobenzyl alcohol

There total 4 articles about 3-Bromo-4-cyanobenzyl alcohol 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:

3-bromo-4-cyanobenzoic acid (58123-69-6) → 2-bromo-4-(hydroxymethyl)benzonitrile (90110-97-7)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-0033-1340069

Reference yield:

2-bromo-4-(bromomethyl)benzonitrile (89892-38-6) → 2-bromo-4-(hydroxymethyl)benzonitrile (90110-97-7)

Guidance literature:

With water;

DOI:10.1021/jo01030a518

Reference yield:

4-methyl-2-bromobenzonitrile (42872-73-1) → 2-bromo-4-(hydroxymethyl)benzonitrile (90110-97-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / Irradiation

2: H₂O

With water; bromine;

DOI:10.1021/jo01030a518

upstream raw materials:

2-bromo-4-(bromomethyl)benzonitrile

4-methyl-2-bromobenzonitrile

3-bromo-4-cyanobenzoic acid

Downstream raw materials:

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

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

4-(((tert-butyldimethylsilyl)oxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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

Refernces

• 1、 -. "Substituted phenyl farnesyltransferase inhibitors". . . Retrieved 2012/09/25.