3-BROMO-4-METHOXYPHENYLACETONITRILE

Base Information

• Chemical Name: 3-BROMO-4-METHOXYPHENYLACETONITRILE
• CAS No.: 772-59-8
• Molecular Formula: C9H8BrNO
• Molecular Weight: 226.073
• Hs Code.: 2926909090
• Mol file: 772-59-8.mol

Synonyms:3-Bromo-4-methoxybenzyl cyanide;3-Bromo-4-methoxyphenylacetonitrile;Acetonitrile,(3-bromo-4-methoxyphenyl)- (7CI,8CI);

Chemical Property of 3-BROMO-4-METHOXYPHENYLACETONITRILE

Chemical Property:

• Vapor Pressure: 0.000245mmHg at 25°C
• Melting Point: 50-53 °C
• Refractive Index: 1.555
• Boiling Point: 324.4 °C at 760 mmHg
• Flash Point: 150 °C
• PSA: 33.02000
• Density: 1.45 g/cm³
• LogP: 2.52378
• Solubility.: soluble in Methanol

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-20/21/22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BROMO-4-METHOXYPHENYLACETONITRILE

There total 7 articles about 3-BROMO-4-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: 72.0%

p-methoxybenzylnitrile (104-47-2) → (3-bromo-4-methoxyphenyl)-acetonitrile (772-59-8)

Guidance literature:

With N-Bromosuccinimide; palladium diacetate; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.6b02731

Reference yield:

2-bromo-4-(bromomethyl)-1-methoxybenzene (89978-72-3) + sodium cyanide (143-33-9,25596-52-5) → (3-bromo-4-methoxyphenyl)-acetonitrile (772-59-8)

Guidance literature:

In dimethyl sulfoxide; for 2h;

Reference yield:

3-bromo-4-methoxybenzylaldehyde (34841-06-0) → (3-bromo-4-methoxyphenyl)-acetonitrile (772-59-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous NaOH / 50 °C

2: benzene; HCl / 0 °C

3: ethanol

With hydrogenchloride; sodium hydroxide; ethanol; benzene;

DOI:10.1039/jr9380001780

upstream raw materials:

3-bromo-4-methoxybenzyl chloride

potassium cyanide

3-bromo-4-methoxybenzylaldehyde

(3-bromo-4-methoxy-phenyl)-methanol

Downstream raw materials:

(3-bromo-4-methoxy-phenyl)-acetic acid

4-Methoxy-3-isopropylphenylacetonitrile

4-(3-bromo-4-methoxyphenyl)-tetrahydro-2H-pyran-4-carbonitrile

2-(3-Bromo-4-methoxy-phenyl)-N-hydroxy-acetamidine

Refernces

• 1、 -. "PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS". Page/Page column 132. . Retrieved 2009/07/03.