N-(4-acetylphenyl)-2-fluorobenzamide

Base Information

• Chemical Name: N-(4-acetylphenyl)-2-fluorobenzamide
• CAS No.: 303091-98-7
• Molecular Formula: C₁₅H₁₂FNO₂
• Molecular Weight: 257.264
• European Community (EC) Number: 684-101-0
• DSSTox Substance ID: DTXSID10353993
• Wikidata: Q82131899
• Mol file: 303091-98-7.mol

Synonyms:N-(4-acetylphenyl)-2-fluorobenzamide;303091-98-7;Cambridge id 5121984;CBDivE_001913;DTXSID10353993;BBL015678;MFCD00429853;STK416461;AKOS000191582;VS-04997;CS-0314139;AH-357/03368030;SR-01000412275;SR-01000412275-1;Z27699582

Chemical Property of N-(4-acetylphenyl)-2-fluorobenzamide

Chemical Property:

• Boiling Point: 335.5±27.0 °C(Predicted)
• PKA: 12.12±0.70(Predicted)
• Density: 1.260±0.06 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 257.08520679
• Heavy Atom Count: 19
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Acetylphenyl)-2-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F

Technology Process of N-(4-acetylphenyl)-2-fluorobenzamide

There total 1 articles about N-(4-acetylphenyl)-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:

p-aminobenzophenone (99-92-3) + 2-Fluorobenzoyl chloride (393-52-2) → N-(4-acetylphenyl)-2-fluorobenzamide (303091-98-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 80 ℃;

DOI:10.1016/j.bmcl.2021.128230

Reference yield: 58.9%

3,5,6-trimethyl-pyrazine-2-carbaldehyde (186534-02-1) + N-(4-acetylphenyl)-2-fluorobenzamide (303091-98-7) → (E)-2-fluoro-N-(4-(3-(3,5,6-trimethylpyrazin-2-yl)acryloyl)phenyl)benzamide

Guidance literature:

With potassium hydroxide; In methanol; for 24h;

DOI:10.1016/j.bmcl.2021.128230

upstream raw materials:

p-aminobenzophenone

2-Fluorobenzoyl chloride

Refernces

• 1、 Chauhan, Vinita,Dhaked, Ram Kumar,Pathak, Uma,Phatak, Pooja,Saxena, Nandita. "E-N-(2-acetyl-phenyl)-3-phenyl-acrylamide targets abrin and ricin toxicity: Hitting two toxins with one stone". . . Retrieved 2021/09/04.