3-FLUORO-4-METHOXYPHENYLACETONITRILE

Base Information

• Chemical Name: 3-FLUORO-4-METHOXYPHENYLACETONITRILE
• CAS No.: 404-90-0
• Molecular Formula: C9H8 F N O
• Molecular Weight: 165.167
• Hs Code.: 2926909090
• Mol file: 404-90-0.mol

Synonyms:Acetonitrile,(3-fluoro-4-methoxyphenyl)- (6CI,7CI,8CI)

Chemical Property of 3-FLUORO-4-METHOXYPHENYLACETONITRILE

Chemical Property:

• Vapor Pressure: 0.00676mmHg at 25°C
• Melting Point: 46-48°C
• Boiling Point: 270.6 °C at 760 mmHg
• Flash Point: 117.5 °C
• PSA: 33.02000
• Density: 1.148 g/cm³
• LogP: 1.90038
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

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

Safty Information:

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

MSDS Files:

Useful:

Technology Process of 3-FLUORO-4-METHOXYPHENYLACETONITRILE

There total 7 articles about 3-FLUORO-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: 90.0%

3-fluoro-4-methoxybenzyl chloride (351-52-0) + sodium cyanide (143-33-9,25596-52-5) → 2-(3-fluoro-4-methoxyphenyl)acetonitrile (404-90-0)

Guidance literature:

In dimethyl sulfoxide; at 40 - 45 ℃; for 3h;

Reference yield: 58.0%

3-fluoro-p-anisaldehyde (351-54-2) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → 2-(3-fluoro-4-methoxyphenyl)acetonitrile (404-90-0)

Guidance literature:

3-fluoro-p-anisaldehyde; [(p-methylphenyl)sulfonylmethyl]isonitrile; With potassium tert-butylate; In tetrahydrofuran; at -78 ℃; for 1.75h;

With methanol; In tetrahydrofuran; for 0.5h; Heating / reflux;

Reference yield: 58.0%

3-fluoro-p-anisaldehyde (351-54-2) → 2-(3-fluoro-4-methoxyphenyl)acetonitrile (404-90-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; methanol; water;

upstream raw materials:

3-fluoro-4-methoxybenzyl chloride

sodium cyanide

1-fluoro-2-methoxybenzene

tri-n-hexylamine

Downstream raw materials:

2-(3-fluoro-4-methoxy-phenyl)-3c-[2]furyl-acrylonitrile

3c-benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-methoxy-phenyl)-acrylonitrile

2-(3-fluoro-4-methoxyphenyl)ethan-1-amine

(3-fluoro-4-hydroxyphenyl)acetic acid

Refernces

• 1、 -. "Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases". Paragraph 1571. . Retrieved 2015/09/22.
• 2、 -. "Modulators of ATP-binding cassette transporters". Page/Page column 90-91. . Retrieved 2008/06/13.