2-(2-Chloro-4-fluorophenyl)acetamide

Base Information

• Chemical Name: 2-(2-Chloro-4-fluorophenyl)acetamide
• CAS No.: 306937-35-9
• Molecular Formula: C₈H₇ClFNO
• Molecular Weight: 187.601
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90378664
• Wikidata: Q82168176
• ChEMBL ID: CHEMBL1778130
• Mol file: 306937-35-9.mol

Synonyms:2-(2-chloro-4-fluorophenyl)acetamide;306937-35-9;2-CHLORO-4-FLUOROPHENYLACETAMIDE;Maybridge1_000116;MixCom1_000226;SCHEMBL1395757;CHEMBL1778130;DTXSID90378664;KKNGNQGKYUBBKL-UHFFFAOYSA-N;MFCD02180958;AKOS025117084;PS-8454;SB75702;CS-0316212;FT-0608440;2-(2-chloro-4-fluorophenyl)acetamide, AldrichCPR;(7-Chloro-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine

Chemical Property of 2-(2-Chloro-4-fluorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 7.37E-05mmHg at 25°C
• Melting Point: 171 °C
• Refractive Index: 1.548
• Boiling Point: 342.7°Cat760mmHg
• Flash Point: 161.1°C
• PSA: 43.09000
• Density: 1.347g/cm³
• LogP: 2.20720
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.0200197
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Chloro-4-fluorophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)CC(=O)N

Technology Process of 2-(2-Chloro-4-fluorophenyl)acetamide

There total 2 articles about 2-(2-Chloro-4-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:

2-chloro-4-fluorophenylacetyl chloride (676348-45-1) → 2-chloro-4-fluorophenylacetamide (306937-35-9)

Guidance literature:

With ammonia; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2021.127846

Reference yield:

2-(2-chloro-4-fluorophenyl)acetic acid (177985-32-9) → 2-chloro-4-fluorophenylacetamide (306937-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C

2: ammonia / tetrahydrofuran / 12 h / 20 °C

With oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2021.127846

Reference yield:

2-chloro-4-fluorophenylacetamide (306937-35-9) → C8H7ClFNS (306937-36-0)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 80 ℃; for 12h;

DOI:10.1016/j.bmcl.2021.127846

upstream raw materials:

2-(2-chloro-4-fluorophenyl)acetic acid

2-chloro-4-fluorophenylacetyl chloride

Downstream raw materials:

C₈H₇ClFNS

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