2-tert-Butyl-1,3-thiazole

Base Information

• Chemical Name: 2-tert-Butyl-1,3-thiazole
• CAS No.: 13623-12-6
• Molecular Formula: C7H11NS
• Molecular Weight: 141.237
• Hs Code.: 2934100090
• European Community (EC) Number: 815-261-3
• DSSTox Substance ID: DTXSID70342343
• Nikkaji Number: J129.803H
• Wikidata: Q82113072
• Mol file: 13623-12-6.mol

Synonyms:2-tert-Butyl-1,3-thiazole;13623-12-6;Thiazole, 2-(1,1-dimethylethyl)-;2-tert-Butylthiazole;2-(tert-Butyl)thiazole;2-(1,1-Dimethylethyl)thiazole;Thiazole, 2-tert-butyl-;2-tert.-butylthiazol;SCHEMBL684232;2-tert-Butyl-1,3-thiazole #;DTXSID70342343;AKOS015940536;AT18862;EN300-805036;Z1255400238

Chemical Property of 2-tert-Butyl-1,3-thiazole

Chemical Property:

• Boiling Point: 174.1±9.0 °C(Predicted)
• PKA: pK1: 3.00(+1) (25°C,μ=0.1)
• PSA: 41.13000
• Density: 1.017±0.06 g/cm3(Predicted)
• LogP: 2.44060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.06122053
• Heavy Atom Count: 9
• Complexity: 95.6

Purity/Quality:

99% ^*data from raw suppliers

Thiazole,2-(1,1-dimethylethyl)- >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC=CS1

Technology Process of 2-tert-Butyl-1,3-thiazole

There total 4 articles about 2-tert-Butyl-1,3-thiazole 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:

(S)-3-acetyl-4-benzyl-2-tert-butylthiazolidine 1,1-dioxide (195135-48-9) → 1-Phenylprop-1-yne (673-32-5) + allylbenzene (300-57-2,57807-91-7) + tert-butyl isocyanide (630-18-2) + pivalaldehyde (630-19-3) + 2-(tert-butyl)thiazole (13623-12-6) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

at 600 ℃; under 0.001 Torr; Product distribution; Mechanism; var. chiral thiazolidine 1,1-dioxides, other temp.;

Reference yield:

2-chloroethanal (107-20-0) + 2,2-dimethylpropanethioamide (630-22-8) → 2-(tert-butyl)thiazole (13623-12-6)

Guidance literature:

With acetic acid; In ethanol; at 50 - 80 ℃; for 16h; Inert atmosphere;

Reference yield:

1-bromo-2,2-dimethoxyethane (7252-83-7) + 2,2-dimethylpropanethioamide (630-22-8) → 2-(tert-butyl)thiazole (13623-12-6)

Guidance literature:

With toluene-4-sulfonic acid; acetic acid; at 120 ℃; Cooling with ethanol-dry ice;

upstream raw materials:

(S)-3-acetyl-4-benzyl-2-tert-butylthiazolidine 1,1-dioxide

1-bromo-2,2-dimethoxyethane

2,2-dimethylpropanethioamide

2-chloroethanal

Downstream raw materials:

2-(1,1-dimethylethyl)-4-phenyl-1,3-thiazole

2-tert-butyl-5-phenyl-thiazole