2-bromo-N-tert-butylbenzenesulfonamide

Base Information

• Chemical Name: 2-bromo-N-tert-butylbenzenesulfonamide
• CAS No.: 138733-50-3
• Molecular Formula: C10H14BrNO2S
• Molecular Weight: 292.197
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID30406591
• Wikidata: Q82211633
• Mol file: 138733-50-3.mol

Synonyms:138733-50-3;2-bromo-N-tert-butylbenzenesulfonamide;2-Bromo-N-(tert-butyl)benzenesulfonamide;2-Bromo-N-(tert-butyl)benzenesulphonamide;Benzenesulfonamide, 2-bromo-N-(1,1-dimethylethyl)-;MFCD07710752;SCHEMBL264098;DTXSID30406591;AMQGWGSNHQLIJT-UHFFFAOYSA-N;N-t-butyl-o-bromobenzenesulfonamide;2-bromo-N-t-butyl-benzenesulfonamide;AKOS008940032;N-tert-butyl-2-bromobenzenesulfonamide;AM807868;SY023590;CS-0205396;A807427;2-Bromo-N-(2-methyl-2-propanyl)benzenesulfonamide;Z45516777

Chemical Property of 2-bromo-N-tert-butylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.68E-05mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 364.5°Cat760mmHg
• PKA: 11.58±0.50(Predicted)
• Flash Point: 174.2°C
• PSA: 54.55000
• Density: 1.419g/cm³
• LogP: 3.99760
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.99286
• Heavy Atom Count: 15
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-N-tert-butylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC=C1Br

Technology Process of 2-bromo-N-tert-butylbenzenesulfonamide

There total 3 articles about 2-bromo-N-tert-butylbenzenesulfonamide 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: 84.0%

o-bromobenzenesulfonyl chloride (2905-25-1) → N-(1,1-dimethylethyl)-2-bromobenzenesulfonamide (138733-50-3)

Guidance literature:

In chloroform;

Reference yield: 63.0%

o-bromobenzenesulfonyl chloride (2905-25-1) + tert-butylamine (75-64-9) → N-(1,1-dimethylethyl)-2-bromobenzenesulfonamide (138733-50-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃;

DOI:10.1021/acs.orglett.1c02128

Reference yield:

2-bromobenzoic acid chloride (7154-66-7) + tert-butylamine (75-64-9) → N-(1,1-dimethylethyl)-2-bromobenzenesulfonamide (138733-50-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/adsc.201200212

upstream raw materials:

o-bromobenzenesulfonyl chloride

tert-butylamine

2-bromobenzoic acid chloride

Downstream raw materials:

4'-formylbiphenyl-2-sulfonic acid t-butylamide

N-(t-butyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzenesulfonamide

Refernces

• 1、 Liu, Bifu,Li, Yibiao,Jiang, Huanfeng,Yin, Meizhou,Huang, Huawen. "Palladium-catalyzed C-C coupling of aryl halides with isocyanides: An alternative method for the stereoselective synthesis of (3E)-(Imino)isoindolin- 1-ones and (3E)-(imino)thiaisoindoline 1,1-dioxides". . p. 2288 - 2300. Retrieved 2012/11/07.
• 2、 -. "DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS". Page/Page column 33. . Retrieved 2011/08/04.