2-chloro-N-(3-fluorophenyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(3-fluorophenyl)acetamide
• CAS No.: 350-81-2
• Molecular Formula: C8H7ClFNO
• Molecular Weight: 187.601
• Hs Code.: 2924299090
• European Community (EC) Number: 670-906-4
• DSSTox Substance ID: DTXSID80368418
• Wikidata: Q82154943
• Mol file: 350-81-2.mol

Synonyms:2-chloro-N-(3-fluorophenyl)acetamide;350-81-2;N-(Chloroacetyl)-3-fluoroaniline;n-chloroacetyl-3-fluoroaniline;SCHEMBL2238394;DTXSID80368418;N-(3-fluorophenyl)chloroacetamide;CS-B1389;MFCD01034343;STK158328;AKOS000103696;N-(3-Fluorophenyl)-2-chloroacetamide;2-chloro-N-(3-fluorophenyl) acetamide;KA-0748;2-chloro-n-(3-fluoro-phenyl)-acetamide;BB 0243192;FT-0632008;EN300-01920;A822522;J-509070;Z56889137

Chemical Property of 2-chloro-N-(3-fluorophenyl)acetamide

Chemical Property:

• Melting Point: 121-123 °C
• Boiling Point: 329.2 °C at 760 mmHg
• Flash Point: 152.9 °C
• PSA: 29.10000
• Density: 1.358 g/cm³
• LogP: 2.07600
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.0200197
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-(3-fluorophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)NC(=O)CCl

Technology Process of 2-chloro-N-(3-fluorophenyl)acetamide

There total 3 articles about 2-chloro-N-(3-fluorophenyl)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: 93.0%

meta-fluoroaniline (372-19-0) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(3-fluorophenyl)acetamide (350-81-2)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 0 ℃; for 2h;

Reference yield:

meta-fluoroaniline (372-19-0) → 2-chloro-N-(3-fluorophenyl)acetamide (350-81-2)

Guidance literature:

Reference yield:

→ 2-chloro-N-(3-fluorophenyl)acetamide (350-81-2)

Guidance literature:

upstream raw materials:

meta-fluoroaniline

chloroacetyl chloride

Downstream raw materials:

{3-[(3-Fluoro-phenylcarbamoyl)-methyl]-4-oxo-3,4-dihydro-phthalazin-1-yl}-acetic acid ethyl ester

ethyl 4-<2-(3-fluorophenylamino)-2-oxoethyl>-3,4-dihydro-3-oxo-2H-1,4-benzothiazine-2-acetate

{3-[(3-Fluoro-phenylcarbamoyl)-methyl]-4-oxo-3,4-dihydro-phthalazin-1-yl}-acetic acid

C₁₃H₁₈FN₃O

Refernces

• 1、 Liu, Mei-Ling,Li, Wei-Yi,Fang, Hai-Lian,Ye, Ya-Xi,Li, Su-Ya,Song, Wan-Qing,Xiao, Zhu-Ping,Ouyang, Hui,Zhu, Hai-Liang. "Synthesis and Biological Evaluation of Dithiobisacetamides as Novel Urease Inhibitors". . . Retrieved 2021/11/13.
• 2、 Li, Qi,Chen, Ying,Xing, Shuaishuai,Liao, Qinghong,Xiong, Baichen,Wang, Yuanyuan,Lu, Weixuan,He, Siyu,Feng, Feng,Liu, Wenyuan,Chen, Yao,Sun, Haopeng. "Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection". . p. 6856 - 6876. Retrieved 2021/05/29.