N-Isopropyl-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-Isopropyl-4-methylbenzenesulfonamide
• CAS No.: 21230-07-9
• Molecular Formula: C10H15NO2S
• Molecular Weight: 213.301
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60402001
• Nikkaji Number: J559.661K
• Wikidata: Q82205341
• Mol file: 21230-07-9.mol

Synonyms:N-Isopropyl-4-methylbenzenesulfonamide;21230-07-9;4-methyl-N-(propan-2-yl)benzene-1-sulfonamide;4-methyl-N-propan-2-ylbenzenesulfonamide;SCHEMBL6500063;N-Isopropyl-p-toluenesulfonamide;DTXSID60402001;MFCD00543042;STK451927;AKOS000277268;4-methyl-N-(propan-2-yl)benzenesulfonamide;CS-0263421;EN300-8676116;Z45497602

Chemical Property of N-Isopropyl-4-methylbenzenesulfonamide

Chemical Property:

• PSA: 54.55000
• LogP: 3.15340
• Water Solubility.: Soluble in water, ethanol.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-N-(PROPAN-2-YL)BENZENE-1-SULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
• Uses: N-Isopropyl-4-methylbenzenesulfonamide, N-alkylation of sulfonamides using inactive ethers is used as alkylating reagents.

Technology Process of N-Isopropyl-4-methylbenzenesulfonamide

There total 16 articles about N-Isopropyl-4-methylbenzenesulfonamide 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: 100.0%

isopropylamine (75-31-0) + p-toluenesulfonyl chloride (98-59-9) → N-isopropyl-p-toluenesulfonamide (21230-07-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/anie.202013275

Reference yield: 91.0%

toluene-4-sulfonamide (70-55-3) + isopropyl alcohol (67-63-0,8013-70-5) → N-isopropyl-p-toluenesulfonamide (21230-07-9)

Guidance literature:

With trifluoromethylsulfonic anhydride; In 1,4-dioxane; at 120 ℃; for 48h;

DOI:10.1246/bcsj.20150005

Reference yield: 85.0%

di-isopropyl ether (108-20-3) + toluene-4-sulfonamide (70-55-3) → N-isopropyl-p-toluenesulfonamide (21230-07-9)

Guidance literature:

With trifluorormethanesulfonic acid; In toluene; at 120 ℃; for 14h;

DOI:10.1016/j.tet.2013.11.036

upstream raw materials:

isopropylamine

p-toluenesulfonyl chloride

propene

toluene-4-sulfonamide

Downstream raw materials:

C₁₀H₁₄INO₂S

Refernces

• 1、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 2、 Engl, Sebastian,Reiser, Oliver. "Catalyst-Free Visible-Light-Mediated Iodoamination of Olefins and Synthetic Applications". supporting information. p. 5581 - 5586. Retrieved 2021/07/26.