3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide

Base Information

• Chemical Name: 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS No.: 56661-33-7
• Molecular Formula: C14H9BrF3NO
• Molecular Weight: 344.131
• European Community (EC) Number: 666-329-2
• DSSTox Substance ID: DTXSID20354118
• Wikidata: Q82132087
• Mol file: 56661-33-7.mol

Synonyms:3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide;56661-33-7;3-Bromo-N-(3-(trifluoromethyl)phenyl)benzamide;CBDivE_013092;SCHEMBL12218548;DTXSID20354118;STK021186;AKOS000202853;CS-0331757;3-BROMO-3'-(TRIFLUOROMETHYL)BENZANILIDE;AE-641/05045009

Chemical Property of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide

Chemical Property:

• PSA: 32.59000
• LogP: 5.10420
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.98196
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

3-BROMO-3'-(TRIFLUOROMETHYL)BENZANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide

There total 2 articles about 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide 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: 73.0%

m-bromobenzoic acid (585-76-2) → 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide (56661-33-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 22h;

Reference yield:

3-bromobenzoyl chloride (1711-09-7) + 3-trifluoromethylaniline (98-16-8) → 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide (56661-33-7)

Guidance literature:

With sodium carbonate; In dichloromethane; water; at 20 ℃;

DOI:10.1016/j.molstruc.2020.127903

Reference yield: 80.0%

2-(methylthio)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (944901-68-2) + 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide (56661-33-7) → 3-[2-(methylthio)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (1454656-93-9)

Guidance literature:

With sodium t-butanolate; ruphos; In tetrahydrofuran; at 80 ℃; for 21h; Inert atmosphere;

upstream raw materials:

m-bromobenzoic acid

3-bromobenzoyl chloride

3-trifluoromethylaniline

Downstream raw materials:

3-[2-(methylthio)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

3-(7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

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