4-{[4-(2-Pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

Base Information

• Chemical Name: 4-{[4-(2-Pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
• CAS No.: 5750-00-5
• Molecular Formula: C6H13 Cl
• Molecular Weight: 120.622
• NSC Number: 749153
• DSSTox Substance ID: DTXSID90973037
• Wikidata: Q82956881
• Mol file: 5750-00-5.mol

Synonyms:5750-00-5;Oprea1_534015;Oprea1_727834;SCHEMBL22680730;DTXSID90973037;NSC749153;NSC-749153;AB00682768-01;4-{[4-(2-pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide;4-{[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

Chemical Property of 4-{[4-(2-Pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

Chemical Property:

• Vapor Pressure: 27.3mmHg at 25°C
• Boiling Point: 586.1°Cat760mmHg
• Flash Point: 308.3°C
• Density: 1.473g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 332.04016799
• Heavy Atom Count: 22
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N

Technology Process of 4-{[4-(2-Pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

There total 5 articles about 4-{[4-(2-Pyridinyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide 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:

3,3-dimethyl-2-butanol (464-07-3,20281-91-8) → 2,2-dimethyl-3-butyl chloride (5750-00-5) + 2-chloro-2,3-dimethylbutane (594-57-0)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + tert-butylethylene (558-37-2) → 2,2-dimethyl-3-butyl chloride (5750-00-5) + 2-chloro-2,3-dimethylbutane (594-57-0) + 1-chloro-3,3-dimethylbutane (2855-08-5)

Guidance literature:

DOI:10.1021/ja01160a023

Reference yield:

2,2-Dimethylbutane (75-83-2) → 2,2-dimethyl-3-butyl chloride (5750-00-5) + 1-chloro-3,3-dimethylbutane (2855-08-5)

Guidance literature:

With N-(tert-butyl)-N-chloro-3,5-bis(trifluoromethyl)benzamide; caesium carbonate; dibenzoyl peroxide; at 65 ℃; regioselective reaction;

DOI:10.1039/c8sc01756e

upstream raw materials:

3,3-dimethyl-2-butanol

2,2-Dimethylbutane

chlorine

hydrogenchloride

Downstream raw materials:

2,3,3-trimethylbutanal

Refernces

• 1、 Lee, Sueg-Geun. "Evidence for Electron Transfer, Radical and Ionic Pathways in the Decomposition of Diacyl Peroxide". . p. 1361 - 1372. Retrieved 2007/10/02.