N-(4-Chlorobenzyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(4-Chlorobenzyl)-3-oxobutanamide
• CAS No.: 78984-83-5
• Molecular Formula: C11H12ClNO2
• Molecular Weight: 225.675
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10359298
• Nikkaji Number: J1.089.794G
• Wikidata: Q82140455
• Mol file: 78984-83-5.mol

Synonyms:N-(4-Chlorobenzyl)-3-oxobutanamide;78984-83-5;Butanamide, N-[(4-chlorophenyl)methyl]-3-oxo-;N-[(4-chlorophenyl)methyl]-3-oxobutanamide;CBMicro_010131;SCHEMBL9431727;DTXSID10359298;SMSF0013699;MFCD01001281;AKOS000165170;CB13032;BS-36180;BIM-0009949.P001;SR-01000227106;SR-01000227106-1

Chemical Property of N-(4-Chlorobenzyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 1.63E-07mmHg at 25°C
• Boiling Point: 427.5oC at 760 mmHg
• Flash Point: 212.4oC
• PSA: 46.17000
• Density: 1.208g/cm3
• LogP: 2.32620
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98% ^*data from raw suppliers

N-(4-chlorobenzyl)-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CC(=O)NCC1=CC=C(C=C1)Cl

Technology Process of N-(4-Chlorobenzyl)-3-oxobutanamide

There total 3 articles about N-(4-Chlorobenzyl)-3-oxobutanamide 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:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 4-chlorobenzylamine (104-86-9) → 3-Oxo-buttersaeure-(4-chlorbenzyl)-amid (78984-83-5)

Guidance literature:

In methanol; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2010.06.036

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + Ammonium-(4-chlorbenzyl)-dithiocarbamat (65560-92-1) → 3-Oxo-buttersaeure-(4-chlorbenzyl)-amid (78984-83-5)

Guidance literature:

With pyridine; sulfuric acid; acetic anhydride; Yield given. Multistep reaction; 1.) 2 h, 2.) 30 min;

DOI:10.1002/ardp.19813140704

Reference yield:

→ 3-Oxo-buttersaeure-(4-chlorbenzyl)-amid (78984-83-5)

Guidance literature:

upstream raw materials:

4-methyleneoxetan-2-one

Ammonium-(4-chlorbenzyl)-dithiocarbamat

4-chlorobenzylamine

Downstream raw materials:

N,1-bis(4-chlorobenzyl)-2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

3-methylquinoxaline-2-carboxylic acid p-chlorobenzylamide 1,4-di-N-oxide

6,7-dichloro-3-methylquinoxaline-2-carboxylic acid p-chlorobenzylamide 1,4-di-N-oxide

3,7-dimethylquinoxaline-2-carboxylic acid p-chlorobenzylamide 1,4-di-N-oxide