N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide

Base Information

• Chemical Name: N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide
• CAS No.: 2053-96-5
• Molecular Formula: C₁₄H₉F₄NO
• Molecular Weight: 283.225
• Hs Code.: 2924297099
• European Community (EC) Number: 668-941-5
• DSSTox Substance ID: DTXSID60365243
• Wikidata: Q82149750
• Mol file: 2053-96-5.mol

Synonyms:2053-96-5;N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide;2-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;2-Fluoro-N-(4-(trifluoromethyl)phenyl)benzamide;N-(4-(TRIFLUOROMETHYL)PHENYL)-2-FLUOROBENZAMIDE;2-Fluoro-4'-(trifluoromethyl)benzanilide;DTXSID60365243;MFCD00045093;AKOS008561385

Chemical Property of N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide

Chemical Property:

• Melting Point: 149-150°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 283.06202656
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

N-[4-(Trifluoromethyl)phenyl-2-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)F

Technology Process of N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide

There total 2 articles about N-[4-(Trifluoromethyl)phenyl]-2-fluorobenzamide 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: 96.0%

4-trifluoromethylphenylamine (455-14-1) + 2-Fluorobenzoyl chloride (393-52-2) → 2-fluoro-N-(4-(trifluoromethyl)phenyl)benzamide (2053-96-5)

Guidance literature:

With dmap; at 0 - 20 ℃;

DOI:10.1039/c5nj03211c

Reference yield:

→ 2-fluoro-N-(4-(trifluoromethyl)phenyl)benzamide (2053-96-5)

Guidance literature:

/BRN= 2735880/;

Reference yield: 94.0%

2-fluoro-N-(4-(trifluoromethyl)phenyl)benzamide (2053-96-5) + diphenyl acetylene (501-65-5) → 3,4-diphenyl-2-(4-(trifluoromethyl)phenyl)isoquinolin-1(2H)-one

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium tert-butylate; In N,N-dimethyl-d₆-formamide; at 40 ℃; for 6h; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1021/jacs.0c08512

upstream raw materials:

4-trifluoromethylphenylamine

2-Fluorobenzoyl chloride

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