Benzenesulfonamide, p-chloro-N-propyl-

Base Information

• Chemical Name: Benzenesulfonamide, p-chloro-N-propyl-
• CAS No.: 28860-18-6
• Molecular Formula: C9H12 Cl N O2 S
• Molecular Weight: 233.719
• Hs Code.: 2935009090
• NSC Number: 406135
• UNII: Q8NN10N5Z0
• DSSTox Substance ID: DTXSID90183058
• Nikkaji Number: J41.393C
• Wikidata: Q83053785
• Mol file: 28860-18-6.mol

Synonyms:4-chloro-n-propylbenzenesulfonamide;28860-18-6;Benzenesulfonamide, p-chloro-N-propyl-;4-chloro-N-propylbenzene-1-sulfonamide;N-Propyl-p-chlorobenzenesulfonamide;Benzenesulfonamide, 4-chloro-N-propyl-;Q8NN10N5Z0;NSC-406135;p-Chloro-N-propylbenzenesulfonamide;NSC 406135;BRN 2728849;AI3-01435;NSC406135;UNII-Q8NN10N5Z0;Oprea1_309109;SCHEMBL11883523;DTXSID90183058;AKOS001055419;CS-0220204;EN300-06045;Z45545161

Chemical Property of Benzenesulfonamide, p-chloro-N-propyl-

Chemical Property:

• Vapor Pressure: 9.52E-05mmHg at 25°C
• Boiling Point: 338.9°Cat760mmHg
• Flash Point: 158.8°C
• PSA: 54.55000
• Density: 1.263g/cm³
• LogP: 3.50000
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.0277275
• Heavy Atom Count: 14
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-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)Cl

Technology Process of Benzenesulfonamide, p-chloro-N-propyl-

There total 4 articles about Benzenesulfonamide, p-chloro-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: 85.0%

propylamine (107-10-8,42939-71-9) + 4-chlorobenzenesulfonyl chloride (98-60-2) → N-n-propyl-4-chlorobenzenesulfonamide (28860-18-6)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/acs.joc.8b03192

Reference yield:

1-n-propyl-1-[(4-chlorophenyl)sulfonyl]-3-n-propylurea → propylamine (107-10-8,42939-71-9) + N-n-propyl-4-chlorobenzenesulfonamide (28860-18-6)

Guidance literature:

With sodium hydroxide; at 25 ℃; Rate constant; Thermodynamic data; ΔS(excit.), ΔH(excit.);

DOI:10.1039/c39930000946

Reference yield:

Natrium-(4-chlor-benzolsulfonsaeureamid) (18522-94-6,91512-11-7) + propyl bromide (106-94-5) → N-n-propyl-4-chlorobenzenesulfonamide (28860-18-6)

Guidance literature:

With Duolite (A-101D (Cl(-) form); Yield given. Multistep reaction; 1.) water, 2.) 5 h;

upstream raw materials:

Natrium-(4-chlor-benzolsulfonsaeureamid)

propyl bromide

propylamine

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

(Z)-N-(1-bromo-1-octen-2-yl)-N-propyl-p-chlorobenzenesulfonamide

Refernces

• 1、 Zeng, Xianzhu,Tu, Yongliang,Zhang, Zhenming,You, Changming,Wu, Jiao,Ye, Zhiying,Zhao, Junfeng. "Transition-Metal-Free One-Step Synthesis of Ynamides". . p. 4458 - 4466. Retrieved 2019/03/26.
• 2、 Sanghavi, N.M.,Parab, V.L.,Patravale, B. S.,Patel, M. N.. "N-ALKYLATION OF SULFONAMIDES USING ANION EXCHANGE RESIN". . p. 1499 - 1504. Retrieved 2007/10/02.