N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

Base Information

• Chemical Name: N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
• CAS No.: 22274-91-5
• Molecular Formula: C14H18N2O2S2
• Molecular Weight: 310.441
• DSSTox Substance ID: DTXSID50358609
• Nikkaji Number: J2.227.973D
• Wikidata: Q82139295
• ChEMBL ID: CHEMBL1582877
• Mol file: 22274-91-5.mol

Synonyms:N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;22274-91-5;Oprea1_589200;Oprea1_706636;MLS000700953;CHEMBL1582877;SCHEMBL13990790;DTXSID50358609;HMS2510N14;SMR000230848

Chemical Property of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 310.08097017
• Heavy Atom Count: 20
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2)C(C)(C)C

Technology Process of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

There total 1 articles about N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)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: 61.0%

5-(1,1-dimethyl)ethyl-4-methylthiazol-2-ylamine (45865-42-7) + benzenesulfonyl chloride (98-09-9) → N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-benzenesulfonamide (22274-91-5)

Guidance literature:

With pyridine; at 20 ℃; for 12h;

DOI:10.1080/00397910500186730

Reference yield: 95.0%

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-benzenesulfonamide (22274-91-5) + methyl iodide (74-88-4) → N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2(3H)-2-ylidene)benzenesulfonamide

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1080/00397910500186730

Reference yield:

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-benzenesulfonamide (22274-91-5) → C17H22N2O2S2

Guidance literature:

With sodium hydride; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2007.07.005

upstream raw materials:

5-(1,1-dimethyl)ethyl-4-methylthiazol-2-ylamine

benzenesulfonyl chloride