2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

Base Information

• Chemical Name: 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
• CAS No.: 61984-68-7
• Molecular Formula: C8H5F4NO
• Molecular Weight: 207.127
• NSC Number: 226241
• DSSTox Substance ID: DTXSID30211021
• Wikidata: Q83085876
• Mol file: 61984-68-7.mol

Synonyms:2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;61984-68-7;Acetanilide, 2,2,2,2'-tetrafluoro-;2,2,2,2'-Tetrafluoroacetanilide;BRN 0980172;Acetamide, N-(2-fluorophenyl)-2,2,2-trifluoro-;NSC226241;2-Fluorotrifluoroacetanilide;SCHEMBL1576313;DTXSID30211021;MFCD00780955;STK124864;AKOS002960475;NSC 226241;NSC-226241;BS-29226;2,2,2-trifluoro-N-(2-fluorophenyl)-acetamide

Chemical Property of 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.0616mmHg at 25°C
• Boiling Point: 231.7°C at 760 mmHg
• Flash Point: 93.9°C
• PSA: 29.10000
• Density: 1.447g/cm³
• LogP: 2.39950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 207.03072643
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-TRIFLUORO-N-(2-FLUOROPHENYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide

There total 5 articles about 2,2,2-trifluoro-N-(2-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: 79.0%

2-Fluoroaniline (348-54-9) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (61984-68-7)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

Reference yield: 57.0%

2,2,2-trifluoro-N-phenylacetamide (404-24-0) → 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (61984-68-7)

Guidance literature:

With acetyl hypofluorite; In dichloromethane; trichlorofluoromethane; at -75 ℃;

DOI:10.1021/jo00179a012

Reference yield:

2,2,2-trifluoro-N-phenylacetamide (404-24-0) → N-(4-fluorophenyl)-2,2,2-trifluoro-acetamide (35980-25-7) + N-(2,4-Difluorophenyl)-trifluoroacetamide (98651-71-9) + N-(2,6-difluorophenyl)-2,2,2-trifluoroacetamide (98634-00-5) + 2,2,2-trifluoro-N-(2-fluorophenyl)acetamide (61984-68-7)

Guidance literature:

With hypofluorous acid trifluoromethyl ester; In trifluoroacetic acid;

DOI:10.1021/jo00223a030

upstream raw materials:

2,2,2-trifluoro-N-phenylacetamide

2-Fluoroaniline

trifluoroacetic anhydride

2,2,2-trifluoro-N-(2-fluorophenyl)acetimidoyl chloride

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