4-tert-Butyl-2-methylthiazole

Base Information

• Chemical Name: 4-tert-Butyl-2-methylthiazole
• CAS No.: 15679-11-5
• Molecular Formula: C₈H₁₃NS
• Molecular Weight: 155.264
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30370884
• Nikkaji Number: J2.556.699H
• Wikidata: Q82158050
• Mol file: 15679-11-5.mol

Synonyms:4-tert-Butyl-2-methylthiazole;15679-11-5;4-tert-butyl-2-methyl-1,3-thiazole;4-(tert-butyl)-2-methylthiazole;4-(tert-butyl)-2-methyl-1,3-thiazole;Thiazole, 4-(1,1-dimethylethyl)-2-methyl-;4-t-Butyl-2-methylthiazole;SCHEMBL77644;2-Methyl-4-tert-butylthiazole;4-tert-butyl-2-methyl-thiazole;DTXSID30370884;IHLQWPDUYYFCSQ-UHFFFAOYSA-N;Thiazole, 4-tert-butyl-2-methyl-;MFCD00051643;AKOS006229756;TS-02072;CS-0229915;FT-0619484;EN300-101550;F77933;A809771;Z204235642

Chemical Property of 4-tert-Butyl-2-methylthiazole

Chemical Property:

• Vapor Pressure: 0.47mmHg at 25°C
• Boiling Point: 200°Cat760mmHg
• PKA: 3.91±0.10(Predicted)
• Flash Point: 68.7°C
• PSA: 41.13000
• Density: 1.001g/cm³
• LogP: 2.74900
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.07687059
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butyl-2-methylthiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C(C)(C)C

Technology Process of 4-tert-Butyl-2-methylthiazole

There total 3 articles about 4-tert-Butyl-2-methylthiazole 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: 88.0%

3,3-dimethyl-1-(tosyloxy)butan-2-one (7257-96-7) + thioacetamide (62-55-5) → 4-tert-butyl-2-methylthiazole (15679-11-5)

Guidance literature:

With β‐cyclodextrin; In water; acetone; at 20 ℃; for 3.1h;

DOI:10.1080/00397910701575913

Reference yield: 74.0%

thioacetamide (62-55-5) + [1-Bromomethyl-2,2-dimethyl-prop-(Z)-ylidene]-isopropyl-amine → 4-tert-butyl-2-methylthiazole (15679-11-5)

Guidance literature:

In methanol; for 1.5h; Heating;

DOI:10.1002/jhet.5570330429

Reference yield:

→ 4-tert-butyl-2-methylthiazole (15679-11-5)

Guidance literature:

α-Brompinakolon, Acetamid, P2S5;

upstream raw materials:

thioacetamide

3,3-dimethyl-1-(tosyloxy)butan-2-one

Downstream raw materials:

4-tert-butyl-2-methyl-5-phenyl-thiazole

Refernces

• 1、 Kumar, V. Pavan,Narender,Sridhar,Nageswar,Rao, K. Rama. "Synthesis of thiazoles and aminothiazoles from β-keto tosylates under supramolecular catalysis in the presence of β-cyclodextrin in water". . p. 4331 - 4336. Retrieved 2008/03/13.