4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE

Base Information

• Chemical Name: 4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE
• CAS No.: 298690-71-8
• Molecular Formula: C10H8FNO
• Molecular Weight: 177.18
• Hs Code.: 2926909090
• Mol file: 298690-71-8.mol

Synonyms:4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE

Chemical Property of 4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Boiling Point: 333.2°C at 760 mmHg
• Flash Point: 155.3°C
• PSA: 40.86000
• Density: 1.168g/cm³
• LogP: 2.31218

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Fluorophenyl)-4-oxobutyronitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE

There total 3 articles about 4-(3-FLUOROPHENYL)-4-OXOBUTYRONITRILE 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: 61.0%

3-(m-fluorophenyl)-propiolic acid (705-83-9) + acetonitrile (75-05-8,26809-02-9) → 4-(3-fluoro-phenyl)-4-oxo-butyronitrile (298690-71-8)

Guidance literature:

With water; copper diacetate; manganese(III) triacetate dihydrate; sodium hydrogencarbonate; dibenzoyl peroxide; at 90 ℃; for 6h; Sealed tube;

DOI:10.1021/acs.orglett.9b00520

Reference yield: 58.0%

butanedinitrile (110-61-2) + 3-fluorophenylboronic acid (768-35-4) → 4-(3-fluoro-phenyl)-4-oxo-butyronitrile (298690-71-8)

Guidance literature:

With [2,2]bipyridinyl; palladium(II) acetylacetonate; toluene-4-sulfonic acid; In water; toluene; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.9b02999

Reference yield:

→ 4-(3-fluoro-phenyl)-4-oxo-butyronitrile (298690-71-8)

Guidance literature:

upstream raw materials:

3-(m-fluorophenyl)-propiolic acid

acetonitrile

butanedinitrile

3-fluorophenylboronic acid

Downstream raw materials:

2-(3-fluorophenyl)-Δ¹-pyrroline

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