N-(4-chlorobenzyl)formamide

Base Information

• Chemical Name: N-(4-chlorobenzyl)formamide
• CAS No.: 86386-67-6
• Molecular Formula: C8H8ClNO
• Molecular Weight: 169.611
• DSSTox Substance ID: DTXSID30457184
• Nikkaji Number: J3.130.137H
• Wikidata: Q82279933
• Mol file: 86386-67-6.mol

Synonyms:N-(4-chlorobenzyl)formamide;86386-67-6;N-[(4-chlorophenyl)methyl]formamide;4-chlorobenzylcarbamoyl;4-chlorobenzyl-formamide;SCHEMBL349260;DTXSID30457184;AB6809;MFCD16620259;AKOS014313266;BS-25885

Chemical Property of N-(4-chlorobenzyl)formamide

Chemical Property:

• PSA: 32.59000
• LogP: 2.42630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

N-(4-Chlorobenzyl)formamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC=O)Cl

Technology Process of N-(4-chlorobenzyl)formamide

There total 13 articles about N-(4-chlorobenzyl)formamide 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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)formamide (86386-67-6)

Guidance literature:

With phenylsilane; C₁₄H₂₄N₄Si*HI; In benzene-d6; at 40 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acscatal.0c03795

Reference yield: 98.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)formamide (86386-67-6)

Guidance literature:

With [Ru-NHC]; In toluene; at 110 ℃; for 8h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1016/j.molcata.2015.03.015

Reference yield: 89.0%

4-Cyanochlorobenzene (623-03-0) + methanol (67-56-1) → N-(4-chlorobenzyl)formamide (86386-67-6)

Guidance literature:

With C₄₆H₄₈N₂OP₂Ru; In benzene; at 90 ℃; for 5h; Inert atmosphere; Glovebox; Green chemistry;

DOI:10.1002/adsc.201400982

upstream raw materials:

4-chlorobenzylamine

formic acid ethyl ester

N,N-dimethylformamide diethyl diacetal

carbon monoxide

Downstream raw materials:

p-chlorobenzylisocyanide

N-[(4-chlorophenyl)methyl]thioformamide

N'-tert-Butyl-N-(4-chloro-benzyl)-N-methyl-formamidine