3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

Base Information

• Chemical Name: 3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE
• CAS No.: 81038-44-0
• Molecular Formula: C9H8BrNO2
• Molecular Weight: 242.07
• Hs Code.: 2926909090
• Mol file: 81038-44-0.mol

Synonyms:2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile;(3-Bromo-4-hydroxy-5-methoxyphenyl)acetonitrile;

Chemical Property of 3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

Chemical Property:

• Vapor Pressure: 3.61E-05mmHg at 25°C
• Melting Point: 145-147 °C
• Refractive Index: 1.588
• Boiling Point: 343.2 °C at 760 mmHg
• Flash Point: 161.3 °C
• PSA: 53.25000
• Density: 1.569 g/cm³
• LogP: 2.22938

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; Xi
• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

There total 3 articles about 3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE 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: 65.0%

4-hydroxy-3-methoxyphenylacetonitrile (4468-59-1) → 3-Bromo-4-hydroxy-5-methoxyphenyl-acetonitrile (81038-44-0)

Guidance literature:

With bromine; at -20 ℃; for 6h;

DOI:10.1002/ardp.19813141203

Reference yield:

5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one (127378-23-8) → 3-Bromo-4-hydroxy-5-methoxyphenyl-acetonitrile (81038-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: (i) NH₂OH*HCl, NaOEt, (ii) H₂O

With sodium hydroxide;

Reference yield:

α-Thio-β-(3-methoxy-4-hydroxy-5-brom-phenyl)-brenztraubensaeure → 3-Bromo-4-hydroxy-5-methoxyphenyl-acetonitrile (81038-44-0)

Guidance literature:

Multistep reaction; (i) NH₂OH*HCl, NaOEt, (ii) H₂O;

upstream raw materials:

4-hydroxy-3-methoxyphenylacetonitrile

5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one

Downstream raw materials:

4-(2-aminoethyl)-2-bromo-6-methoxyphenol

Refernces