N-Cyclohexyl 3-fluorobenzamide

Base Information

• Chemical Name: N-Cyclohexyl 3-fluorobenzamide
• CAS No.: 2267-94-9
• Molecular Formula: C13H16FNO
• Molecular Weight: 221.2706432
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80359422
• Wikidata: Q82140626
• Mol file: 2267-94-9.mol

Synonyms:N-CYCLOHEXYL 3-FLUOROBENZAMIDE;2267-94-9;N-cyclohexyl-3-fluorobenzamide;N-Cyclohexyl3-fluorobenzamide;SCHEMBL13294374;DTXSID80359422;MFCD00454568;AKOS002945141;SB77221;BS-23736;CS-0207824;A878474

Chemical Property of N-Cyclohexyl 3-fluorobenzamide

Chemical Property:

• PSA: 32.59000
• LogP: 3.46300
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.121592296
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

N-Cyclohexyl3-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)C2=CC(=CC=C2)F

Technology Process of N-Cyclohexyl 3-fluorobenzamide

There total 3 articles about N-Cyclohexyl 3-fluorobenzamide 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: 85.0%

C21H12F3N3O3 + Cyclohexyl isocyanate (3173-53-3) → N-cyclohexyl-3-fluorobenzamide (2267-94-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; dipotassium hydrogenphosphate; NiCl₂.dmg; zinc; In N,N-dimethyl-formamide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c9cc08727c

Reference yield:

3-fluorobenzoic acid (455-38-9) → N-cyclohexyl-3-fluorobenzamide (2267-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅

With phosphorus pentachloride;

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) + 3-fluorobenzoyl chloride (1711-07-5) → N-cyclohexyl-3-fluorobenzamide (2267-94-9)

Guidance literature:

upstream raw materials:

cyclohexylamine

3-fluorobenzoyl chloride

3-fluorobenzoic acid

Cyclohexyl isocyanate

Refernces