2-(3-Chlorophenyl)acetamide

Base Information

• Chemical Name: 2-(3-Chlorophenyl)acetamide
• CAS No.: 58357-84-9
• Molecular Formula: C8H8ClNO
• Molecular Weight: 169.611
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID50415943
• Nikkaji Number: J1.525.516A
• Wikidata: Q82225033
• Mol file: 58357-84-9.mol

Synonyms:2-(3-chlorophenyl)acetamide;58357-84-9;2-(3-Chloro-phenyl)-acetamide;3-chloroBenzeneacetamide;3-chlorophenylethanamide;3-chloro phenyl acetamide;SCHEMBL1395822;DTXSID50415943;FBSIKJFOVXUNMI-UHFFFAOYSA-N;MFCD09991645;AKOS011794239;2-(3-Chlorophenyl)acetamide, AldrichCPR;DS-18135;CS-0151376;FT-0762533;EN300-6771935;Z992289380;InChI=1/C8H8ClNO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11

Chemical Property of 2-(3-Chlorophenyl)acetamide

Chemical Property:

• Melting Point: 129.5-130.5 °C
• Boiling Point: 344.9±25.0 °C(Predicted)
• PKA: 16.05±0.40(Predicted)
• PSA: 43.09000
• Density: 1.256±0.06 g/cm3(Predicted)
• LogP: 2.06810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Chlorophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chlorophenyl)acetamide

There total 4 articles about 2-(3-Chlorophenyl)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: 85.0%

3-chloro-benzeneacetonitrile (1529-41-5) → 2-(3-chlorophenyl)acetamide (58357-84-9)

Guidance literature:

With hydrogenchloride; at 65 - 70 ℃; for 2h;

Reference yield:

3-chloro-benzeneacetonitrile (1529-41-5) → 3-chlorophenylacetic acid (1878-65-5) + 2-(3-chlorophenyl)acetamide (58357-84-9)

Guidance literature:

With water; In dimethyl sulfoxide; at 26 ℃; for 0.5h; pH=7; aq. phosphate buffer;

DOI:10.3109/10242422.2010.550002

Reference yield:

3-chloro-benzeneacetyl chloride (41904-39-6) → 2-(3-chlorophenyl)acetamide (58357-84-9)

Guidance literature:

With ammonia; In toluene; for 1h;

DOI:10.1021/ja00323a048

upstream raw materials:

3-chloro-benzeneacetonitrile

3-chloro-benzeneacetyl chloride

3-chlorophenylacetic acid

Downstream raw materials:

methyl N-(3-chlorobenzyl)carbamate

N'-(4-{[3-(3-chlorobenzyl)-1,2,4-thiadiazol-5-yl]oxy}-2,5-dimethylphenyl)-N-ethyl-N-methylimidoformamide

3-(3-chlorobenzyl)-5-[(4-methylphenyl)sulphonyl]-1,2,4-thiadiazole

4-{[3-(3-chlorobenzyl)-1,2,4-thiadiazol-5-yl]oxy}-2,5-dimethylaniline

Refernces

• 1、 Yousefi,Mohammadi,Habibi,Cheraghi. "Nitrile biotransformation by whole cells of Aspergillus sp. PTCC 5266". body text. p. 54 - 59. Retrieved 2012/03/10.
• 2、 Lee,Mayer,Wiegrebe,Lauber,Schlunegger. "MS investigations on derivatives of phenylacetic acid, I: Loss of ortho-substituents from Ionized phenylacetamides". . p. 265 - 272. Retrieved 2007/10/02.