Benzenesulfonamide, 4-methyl-N-propyl-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methyl-N-propyl-
• CAS No.: 1133-12-6
• Molecular Formula: C10H15NO2S
• Molecular Weight: 213.301
• Hs Code.: 2935009090
• NSC Number: 206125
• DSSTox Substance ID: DTXSID70921036
• Nikkaji Number: J123.420J
• Wikidata: Q82893769
• Mol file: 1133-12-6.mol

Synonyms:1133-12-6;4-Methyl-n-propylbenzenesulfonamide;N-Propyl-p-toluenesulfonamide;Benzenesulfonamide, 4-methyl-N-propyl-;4-methyl-N-propylbenzene-1-sulfonamide;p-Toluenesulfonamide, N-propyl-;BRN 2107763;AI3-30818;0-11-00-00105 (Beilstein Handbook Reference);N-Tosylpropylamine;NSC206125;Cambridge id 5116352;SCHEMBL634316;DTXSID70921036;BAA13312;4-Methyl-n-propylbenzenesulfonamide #;AKOS001045741;NSC 206125;NSC-206125;SB78916;LS-154151;CS-0235636;EN300-15933;AR-423/11634534;Z45545175

Chemical Property of Benzenesulfonamide, 4-methyl-N-propyl-

Chemical Property:

• Vapor Pressure: 0.000229mmHg at 25°C
• Melting Point: 54-55 °C
• Refractive Index: 1.521
• Boiling Point: 325.5 °C at 760 mmHg
• PKA: 11.85±0.50(Predicted)
• Flash Point: 150.7 °C
• PSA: 54.55000
• Density: 1.126 g/cm³
• LogP: 3.15500
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-METHYL-N-PROPYL-BENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of Benzenesulfonamide, 4-methyl-N-propyl-

There total 19 articles about Benzenesulfonamide, 4-methyl-N-propyl- 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%

4-methyl-N-[propylidene]benzene-1-sulfonamide (163926-77-0) → N-propyl-toluene-4-sulfonamide (1133-12-6)

Guidance literature:

With Schwartz's reagent; In dichloromethane; at 20 ℃; for 0.333333h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201901607

Reference yield: 99.0%

C15H23NO4S → N-propyl-toluene-4-sulfonamide (1133-12-6)

Guidance literature:

With iron(III) chloride; chloro-trimethyl-silane; In dichloromethane; at 20 ℃;

DOI:10.1039/c4ra12143k

Reference yield: 99.0%

N-((1,2-dimethyl-1H-indol-3-yl)methyl)-4-methyl-N-propylbenzenesulfonamide → N-propyl-toluene-4-sulfonamide (1133-12-6)

Guidance literature:

With methyl trifluoromethanesulfonate; In ethanol; water; at 20 ℃; for 12h; Green chemistry;

DOI:10.1039/c9gc00176j

upstream raw materials:

propylamine

p-toluenesulfonyl chloride

propyl bromide

sodium p-toluenesulfonamide

Downstream raw materials:

N-(1,1-dimethoxypropan-2-yl)-4-methylbenzenesulfonamide

N-(acridine-9-carbonyl)-4-methyl-N-propyl-benzenesulfonamide

N-fluoro-4-methyl-N-propylbenzenesulfonamide

N-(cyclopropylethynyl)-4-methyl-N-propylbenzenesulfonamide

Refernces

• 1、 Hosseini, Raziyeh,Mohammadiannejad, Kazem,Ranjbar-Karimi, Reza. "Synthesis of N-substituted sulfonamides containing perhalopyridine moiety as bio-active candidates". . . Retrieved 2020.
• 2、 Hajiloo Shayegan, Mojtaba,Li, Zhong-Yuan,Cui, Xin. "Ligand-Controlled Regiodivergence for Catalytic Stereoselective Semireduction of Allenamides". supporting information. . Retrieved 2021/12/02.
• 3、 Engl, Sebastian,Reiser, Oliver. "Catalyst-Free Visible-Light-Mediated Iodoamination of Olefins and Synthetic Applications". supporting information. p. 5581 - 5586. Retrieved 2021/07/26.