N-Butyl 4-bromobenzenesulfonamide

Base Information

• Chemical Name: N-Butyl 4-bromobenzenesulfonamide
• CAS No.: 1984-28-7
• Molecular Formula: C10H14BrNO2S
• Molecular Weight: 292.197
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60173582
• Nikkaji Number: J41.380A
• Wikidata: Q83043637
• Mol file: 1984-28-7.mol

Synonyms:N-Butyl 4-bromobenzenesulfonamide;1984-28-7;4-bromo-n-butylbenzenesulfonamide;4-Bromo-N-butylbenzenesulphonamide;Benzenesulfonamide, p-bromo-N-butyl-;BRN 3306483;p-Bromo-N-butylbenzenesulfonamide;Benzenesulfonamide,4-bromo-N-butyl-;SCHEMBL8578107;N-Butyl4-bromobenzenesulfonamide;DTXSID60173582;BAA98428;MFCD01215086;AKOS003836781;AB08376;BS-21915;4-BROMO-N-BUTYLBENZENE-1-SULFONAMIDE;CS-0211338;F15466;A879982;Z45516912

Chemical Property of N-Butyl 4-bromobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.29E-05mmHg at 25°C
• Melting Point: 51-53 °C
• Refractive Index: 1.549
• Boiling Point: 368.2 °C at 760 mmHg
• PKA: 11.29±0.50(Predicted)
• Flash Point: 176.5 °C
• PSA: 54.55000
• Density: 1.42 g/cm³
• LogP: 3.99920
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.99286
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

98%Min ^*data from raw suppliers

N-Butyl4-bromobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNS(=O)(=O)C1=CC=C(C=C1)Br

Technology Process of N-Butyl 4-bromobenzenesulfonamide

There total 5 articles about N-Butyl 4-bromobenzenesulfonamide 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: 95.0%

N-butylamine (109-73-9,85404-21-3) + 4-bromobenzenesulfonyl chloride (98-58-8) → 4-bromo-N-butylbenzenesulfonamide (1984-28-7)

Guidance literature:

N-butylamine; With triethylamine; In dichloromethane;

4-bromobenzenesulfonyl chloride; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 85.0%

p-bromobenzenesulfonyl azide (6647-76-3) + N-butylamine (109-73-9,85404-21-3) → 4-bromo-N-butylbenzenesulfonamide (1984-28-7)

Guidance literature:

With triethylamine; at 20 ℃; for 20h;

DOI:10.1021/acs.joc.5b02755

Reference yield: 75.0%

dibutyl ether (142-96-1) + 4-bromo-benzenesulfonic acid amide (701-34-8) → 4-bromo-N-butylbenzenesulfonamide (1984-28-7)

Guidance literature:

With titanium tetrachloride; In 1,1,2,2-tetrachloroethane; at 120 ℃; for 48h; sealed tube;

DOI:10.1055/s-0031-1290332

upstream raw materials:

N-butylamine

dibutyl ether

4-bromo-benzenesulfonic acid amide

p-bromobenzenesulfonyl azide

Refernces

• 1、 Li, Liping,Gao, Hui,Sun, Ming,Zhou, Zhi,Yi, Wei. "Experimental and Computational Studies on Cp*CyRh(III)/KOPiv-Catalyzed Intramolecular Dehydrogenative Cross-Couplings for Building Eight-Membered Sultam/Lactam Frameworks". supporting information. p. 5473 - 5478. Retrieved 2020/07/14.
• 2、 Chen, Jiayan,Dang, Ling,Li, Qiang,Ye, Yong,Fu, Shaomin,Zeng, Wei. "TiCl4-mediated direct N-alkylation of sulfonamides with inactive ethers". supporting information; experimental part. p. 595 - 600. Retrieved 2012/03/27.