Benzoyl chloride, 4-cyano-3-fluoro-

Base Information

• Chemical Name: Benzoyl chloride, 4-cyano-3-fluoro-
• CAS No.: 177787-22-3
• Molecular Formula: C8H3ClFNO
• Molecular Weight: 183.569
• Mol file: 177787-22-3.mol

Synonyms:4-cyano-3-fluorobenzoyl chloride;4-cyano-3-fluoro-benzoic acid chloride;3-fluoro-4-cyanobenzoyl chloride;4-cyano-3-fluorobenzoicacid;

Chemical Property of Benzoyl chloride, 4-cyano-3-fluoro-

Chemical Property:

• PSA: 40.86000
• LogP: 2.07638

Purity/Quality:

4-Cyano-3-fluorobenzoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoyl chloride, 4-cyano-3-fluoro-

There total 2 articles about Benzoyl chloride, 4-cyano-3-fluoro- 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: 100.0%

4-cyano-3-fluorobenzoic acid (176508-81-9) → 4-cyano-3-fluoro-benzoyl chloride (177787-22-3)

Guidance literature:

With thionyl chloride; for 2h;

Reference yield:

4-bromo-3-fluorobenzoic acid (153556-42-4) → 4-cyano-3-fluoro-benzoyl chloride (177787-22-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 3 h / 90 °C / Inert atmosphere

2: oxalyl dichloride / dichloromethane / 2 h / 20 °C / Inert atmosphere; Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm5010607

Reference yield: 86.4%

4-cyano-3-fluoro-benzoyl chloride (177787-22-3) + 6-amino-1-((6-chloropyridin-3-yl)methyl)-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5(1H)-one → N-(1-((6-chloropyridin-3-yl)methyl)-8-nitro-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-cyano-3-fluorobenzamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.cclet.2018.09.012

upstream raw materials:

4-cyano-3-fluorobenzoic acid

4-bromo-3-fluorobenzoic acid

Downstream raw materials:

4-(2-bromoacetyl)-2-fluorobenzonitrile

1,4-(3-(1,3-dioxolan-2-yl)propanoyl)-2-fluorobenzonitrile

C₁₈H₁₅FN₂O₃

C₂₀H₁₁Cl₂FN₄O₂