3-Bromo-N-(tert-butyl)benzenesulphonamide

Base Information

• Chemical Name: 3-Bromo-N-(tert-butyl)benzenesulphonamide
• CAS No.: 308283-47-8
• Molecular Formula: C10H14BrNO2S
• Molecular Weight: 292.197
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60406589
• Wikidata: Q72502458
• Mol file: 308283-47-8.mol

Synonyms:308283-47-8;3-Bromo-N-(tert-butyl)benzenesulphonamide;3-bromo-N-tert-butylbenzenesulfonamide;3-BROMO-N-(TERT-BUTYL)BENZENESULFONAMIDE;N-TERT-BUTYL 3-BROMOBENZENESULFONAMIDE;N-tert-Butyl-3-bromobenzenesulfonamide;Benzenesulfonamide, 3-bromo-N-(1,1-dimethylethyl)-;MFCD07363824;3-BROMO-N-TERT-BUTYLBENZENE-1-SULFONAMIDE;3-Bromo-N-tert-butyl-benzenesulfonamide;SCHEMBL265040;DTXSID60406589;PKTQHWKZGFKXGT-UHFFFAOYSA-N;AC5858;3-bromo-N-(t-butyl)benzenesulfonamide;AKOS006034994;AB30844;3-Bromo-N-tert-butyl-benzene sulfonamide;AS-68369;SY040037;CS-0100359;FT-0651325

Chemical Property of 3-Bromo-N-(tert-butyl)benzenesulphonamide

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Melting Point: 68-70 °C
• Refractive Index: 1.549
• Boiling Point: 365.3 °C at 760 mmHg
• PKA: 11.44±0.50(Predicted)
• Flash Point: 174.7 °C
• PSA: 54.55000
• Density: 1.42 g/cm³
• LogP: 3.99760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC(=CC=C1)Br
• Uses: 3-Bromo-N-tert-butylbenzenesulfonamide is an intermediate used to prepare benzamides as selective angiotensin II AT2 receptor agonists.

Technology Process of 3-Bromo-N-(tert-butyl)benzenesulphonamide

There total 2 articles about 3-Bromo-N-(tert-butyl)benzenesulphonamide 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%

→ 3-bromo-(N-tert-butyl)benzenesulfonamide (308283-47-8)

Guidance literature:

Reference yield: 95.0%

3-Bromobenzenesulfonyl chloride (2905-24-0) + tert-butylamine (75-64-9) → 3-bromo-(N-tert-butyl)benzenesulfonamide (308283-47-8)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 0.5h;

Reference yield: 98.0%

3-bromo-(N-tert-butyl)benzenesulfonamide (308283-47-8) + 2-chloro-4-amino-5-methylpyrimidine (14394-70-8) → N-(tert-butyl)-3-((2-chloro-5-methylpyrimidin-4-yl)amino)benzenesulfonamide (936092-53-4)

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; for 3h; Heating / reflux;

upstream raw materials:

3-Bromobenzenesulfonyl chloride

tert-butylamine

Downstream raw materials:

N-(tert-butyl)-3-((2-chloro-5-methylpyrimidin-4-yl)amino)benzenesulfonamide

TG101209

N-tert-butyl-3-[5-methyl-2-(3-morpholin-4-ylmethyl-phenylamino)-pyrimidin-4-ylamino]-benzenesulfonamide

N-tert-butyl-3-isobutylbenzenesulfonamide

Refernces

• 1、 -. "PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS". Page/Page column 117. . Retrieved 2011/02/24.
• 2、 -. "Acetylenyl-pyrazolo-pyrimidine derivatives". Page/Page column 26. . Retrieved 2008/06/13.