N-[(2-chlorophenyl)methyl]acetamide

Base Information

• Chemical Name: N-[(2-chlorophenyl)methyl]acetamide
• CAS No.: 57058-32-9
• Molecular Formula: C9H10ClNO
• Molecular Weight: 183.637
• DSSTox Substance ID: DTXSID10405027
• Nikkaji Number: J998.915C
• Wikidata: Q82209404
• Mol file: 57058-32-9.mol

Synonyms:N-[(2-chlorophenyl)methyl]acetamide;57058-32-9;N-(2-chlorobenzyl)acetamide;Acetamide, N-[(2-chlorophenyl)methyl]-;Chlor-acetaminomethylbenzol;SCHEMBL1433979;DTXSID10405027;TZBRNIWZOAPBHV-UHFFFAOYSA-N;AKOS002980441;GS-0416;EN300-203303;AN-652/12114067

Chemical Property of N-[(2-chlorophenyl)methyl]acetamide

Chemical Property:

• PSA: 32.59000
• LogP: 2.81640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98%Min ^*data from raw suppliers

N-[(2-chlorophenyl)methyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1=CC=CC=C1Cl

Technology Process of N-[(2-chlorophenyl)methyl]acetamide

There total 10 articles about N-[(2-chlorophenyl)methyl]acetamide 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: 95.0%

ethyl acetate (141-78-6) + 2-CHLOROBENZYLAMINE (89-97-4) → N-(2-chlorobenzyl)acetamide (57058-32-9)

Guidance literature:

With acetic acid; at 80 ℃; for 20h; Sealed tube;

DOI:10.1039/c6cc09023k

Reference yield: 89.0%

acetamide (60-35-5) + 2-CHLOROBENZYLAMINE (89-97-4) → N-(2-chlorobenzyl)acetamide (57058-32-9)

Guidance literature:

With H-β-zeolite; In neat (no solvent); at 130 ℃; for 24h; Green chemistry;

DOI:10.1039/c5ra16933j

Reference yield: 79.0%

1,1,2,2-Tetraacetylethan (5027-32-7) + 2-CHLOROBENZYLAMINE (89-97-4) → 1-(2-chlorobenzyl)-3-acetyl-2,5-dimethylpyrrole + 1-(2-chlorobenzyl)-3,4-diacetyl-2,5-dimethylpyrrole + N-(2-chlorobenzyl)-N-{1-[1-(2-chlorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl]vinyl}acetamide + N-(2-chlorobenzyl)acetamide (57058-32-9)

Guidance literature:

In water; Heating;

DOI:10.1080/00397910701316144

upstream raw materials:

acetic acid

2-CHLOROBENZYLAMINE

hydrogenchloride

1,1,2,2-Tetraacetylethan

Downstream raw materials:

N-(2-Chloro-benzyl)-N-methyl-acetamide

1,4-dihydro-3(2H)-isoquinolinone

2-(2-chlorophenyl)quinazolin-4(3H)-one

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