P-ME CF3-Methanesulfonanilide

Base Information

• Chemical Name: P-ME CF3-Methanesulfonanilide
• CAS No.: 37595-73-6
• Molecular Formula: C8H8F3NO2S
• Molecular Weight: 239.218
• DSSTox Substance ID: DTXSID30879367
• Nikkaji Number: J1.585.890G
• Wikidata: Q82861466
• Mol file: 37595-73-6.mol

Synonyms:P-ME CF3-METHANESULFONANILIDE;IFLab1_006016;IFLab2_000070;SCHEMBL17774980;DTXSID30879367;SBFITHLDTHXRAT-UHFFFAOYSA-N;HMS1429B10;IDI1_019096;37595-73-6

Chemical Property of P-ME CF3-Methanesulfonanilide

Chemical Property:

• PSA: 54.55000
• LogP: 3.41030
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 239.02278416
• Heavy Atom Count: 15
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F

Technology Process of P-ME CF3-Methanesulfonanilide

There total 4 articles about P-ME CF3-Methanesulfonanilide 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: 80.0%

trifluoromethylsulfonic anhydride (358-23-6) + p-toluidine (106-49-0,12221-03-3) → N-(p-tolyl)-1,1,1-trifluoromethanesulfonamide (37595-73-6)

Guidance literature:

With triethylamine; In dichloromethane; at -30 - 20 ℃;

DOI:10.1021/acs.orglett.6b01334

Reference yield:

triflic azide (3855-45-6) + toluene (108-88-3,15644-74-3,16713-13-6) → N-(m-tolyl)-1,1,1-trifluoromethanesulfonamide (37595-72-5) + N-(p-tolyl)-1,1,1-trifluoromethanesulfonamide (37595-73-6) + N-(o-tolyl)-1,1,1-trifluoromethanesulfonamide

Guidance literature:

In benzene; at 120 ℃; Product distribution;

DOI:10.1246/bcsj.57.3601

Reference yield:

trifluoromethane sulfonyl chloride (421-83-0) + p-toluidine (106-49-0,12221-03-3) → N-(p-tolyl)-1,1,1-trifluoromethanesulfonamide (37595-73-6)

Guidance literature:

In dichloromethane; room temperature, 3 h, reflux, 5 h;

DOI:10.1246/bcsj.57.3601

upstream raw materials:

trifluoromethane sulfonyl chloride

p-toluidine

triflic azide

toluene

Downstream raw materials:

4-Methylbiphenyl

Refernces

• 1、 Chaturvedi, Jagriti,Haldar, Chabush,Bisht, Ranjana,Pandey, Gajanan,Chattopadhyay, Buddhadeb. "Meta Selective C-H Borylation of Sterically Biased and Unbiased Substrates Directed by Electrostatic Interaction". supporting information. p. 7604 - 7611. Retrieved 2021/05/26.
• 2、 Qiu, Dachuan,He, Jia,Yue, Xiao,Shi, Jiarong,Li, Yang. "Diamination of Domino Aryne Precursor with Sulfonamides". supporting information. p. 3130 - 3133. Retrieved 2016/07/14.