2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile

Base Information

• Chemical Name: 2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile
• CAS No.: 303994-99-2
• Molecular Formula: C8H11N3S
• Molecular Weight: 181.261
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50377658
• Wikidata: Q82166960
• Mol file: 303994-99-2.mol

Synonyms:303994-99-2;2-amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile;2-Amino-4-(tert-butyl)thiazole-5-carbonitrile;2-amino-4-tert-butyl-1,3-thiazole-5-carbonitrile;SCHEMBL3282005;DTXSID50377658;SDNYSLVRFRAKGO-UHFFFAOYSA-N;MFCD00214700;AKOS005069542;CS-0360198;FT-0728067;E83996;12A-067;2-amino-5-cyano-4-[(1,1-dimethyl)-ethyl]thiazole;2-amino-5-cyano-4-[(1,1-dimethyl)ethyl]-thiazole;2-Amino-5-cyano-4-[(1,1-dimethyl)ethyl]thiazole;J-507806;2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile, AldrichCPR

Chemical Property of 2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile

Chemical Property:

• Melting Point: 189-191°C
• PSA: 91.67000
• LogP: 1.82458
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.06736854
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

97%, ^*data from raw suppliers

2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=C(SC(=N1)N)C#N

Technology Process of 2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile

There total 2 articles about 2-Amino-4-(tert-butyl)-1,3-thiazole-5-carbonitrile 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%

trimethylacetylacetonitrile (59997-51-2) + thiourea (17356-08-0) → 2-amino-4-(tert-butyl)thiazole-5-carbonitrile (303994-99-2)

Guidance literature:

With tert.-butylhydroperoxide; 2,2'-azobis(isobutyronitrile); In methanol; at 20 ℃;

DOI:10.1016/j.tet.2018.02.064

Reference yield: 66.3%

→ 2-amino-4-(tert-butyl)thiazole-5-carbonitrile (303994-99-2)

Guidance literature:

Reference yield: 44.0%

1-(2-bromophenyl)-4-chloro-7-methoxy-1'-neopentylspiro[indoline-3,4'-piperidine] (1554015-91-6) + 2-amino-4-(tert-butyl)thiazole-5-carbonitrile (303994-99-2) → 4-tert-butyl-2-(2-(4-chloro-7-methoxy-1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenylamino)thiazole-5-carbonitrile (1554015-93-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 110 ℃; for 18h; Inert atmosphere;

upstream raw materials:

trimethylacetylacetonitrile

thiourea

Downstream raw materials:

4-tert-butyl-2-(2-(4-chloro-7-methoxy-1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenylamino)thiazole-5-carbonitrile