2-Chloro-4-methylthiazole

Base Information

• Chemical Name: 2-Chloro-4-methylthiazole
• CAS No.: 26847-01-8
• Molecular Formula: C4H4ClNS
• Molecular Weight: 133.601
• Hs Code.: 2934100090
• European Community (EC) Number: 248-046-2
• DSSTox Substance ID: DTXSID20181365
• Nikkaji Number: J249.063C
• Wikidata: Q72455305
• Mol file: 26847-01-8.mol

Synonyms:2-Chloro-4-methylthiazole;26847-01-8;2-chloro-4-methyl-1,3-thiazole;2-Chloro-4-methyl-thiazole;Thiazole, 2-chloro-4-methyl-;EINECS 248-046-2;MFCD00051033;SCHEMBL112097;DTXSID20181365;SYDUUJIIXIOTQT-UHFFFAOYSA-N;AKOS002657898;SB15813;AC-27364;AM803610;BL002552;BS-12697;SY128140;A5268;CS-0054447;FT-0647553;EN300-28534;J-508770

Chemical Property of 2-Chloro-4-methylthiazole

Chemical Property:

• Vapor Pressure: 0.411mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 202.7 °C at 760 mmHg
• PKA: 1.36±0.10(Predicted)
• Flash Point: 76.4 °C
• PSA: 41.13000
• Density: 1.331 g/cm³
• LogP: 2.10490
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.9752980
• Heavy Atom Count: 7
• Complexity: 68.7

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-methylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)Cl

Technology Process of 2-Chloro-4-methylthiazole

There total 6 articles about 2-Chloro-4-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: 48.0%

4-methylthiazol-2-ylamine (1603-91-4) → 2-chloro-4-methyl-1,3-thiazole (26847-01-8)

Guidance literature:

With Isovaleronitrile; copper dichloride; In acetonitrile; at 0 - 20 ℃; for 16h;

Reference yield:

thiocyanoacetone (3029-48-9) → 2-chloro-4-methyl-1,3-thiazole (26847-01-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/CT9191501071

Reference yield:

4-methylthiazol-2-ylamine (1603-91-4) + isopentyl nitrite (110-46-3) → 2-chloro-4-methyl-1,3-thiazole (26847-01-8)

Guidance literature:

With CuCl₂; In chloroform; acetonitrile;

upstream raw materials:

4-methyl-2(3H)-thiazolone

thiocyanoacetone

hydrogenchloride

ethanol

Downstream raw materials:

2-(2-hydroxyethylamino)-4-methylthiazole

4-Methylthiazole

[4-(4-methyl-thiazol-2-ylamino)-phenyl]-acetic acid

4-methyl-2-(morpholin-4-yl)thiazole-5-carbaldehyde