N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide

Base Information

• Chemical Name: N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide
• CAS No.: 22731-26-6
• Molecular Formula: C₁₄H₁₀F₃NO₃S
• Molecular Weight: 329.3
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00701843
• Nikkaji Number: J395.010G
• Wikidata: Q82633613
• Mol file: 22731-26-6.mol

Synonyms:22731-26-6;N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide;DTXSID00701843;PMEOIVSVJJYTNX-UHFFFAOYSA-N;MBR-3537

Chemical Property of N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide

Chemical Property:

• PSA: 71.62000
• LogP: 4.33290
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 329.03334884
• Heavy Atom Count: 22
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide

There total 2 articles about N-(3-Benzoylphenyl)-1,1,1-trifluoromethanesulfonamide 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:

trifluoromethylsulfonic anhydride (358-23-6) + 3-amino benzophenone (2835-78-1) → N-(3-Benzoylphenyl)-1,1,1-trifluormethansulfonamid (22731-26-6)

Guidance literature:

In chloroform;

Reference yield:

→ N-(3-Benzoylphenyl)-1,1,1-trifluormethansulfonamid (22731-26-6)

Guidance literature:

aus 3-Aminobenzophenon, Trifluormethansulfonsaeureanhydrid;

DOI:10.1021/jm00295a036

Reference yield:

N-(3-Benzoylphenyl)-1,1,1-trifluormethansulfonamid (22731-26-6) → 3-(α-Hydroxybenzyl)trifluoromethanesulfonanilid (35453-64-6)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In methanol;

DOI:10.1021/jm00238a013

upstream raw materials:

trifluoromethylsulfonic anhydride

3-amino benzophenone

Downstream raw materials:

3-(α-Hydroxybenzyl)trifluoromethanesulfonanilid