Thiazole, 2-(chlorophenylmethyl)-4-methyl-

Base Information

• Chemical Name: Thiazole, 2-(chlorophenylmethyl)-4-methyl-
• CAS No.: 543699-14-5
• Molecular Formula: C11H10ClNS
• Molecular Weight: 223.726
• DSSTox Substance ID: DTXSID90478037
• Mol file: 543699-14-5.mol

Synonyms:Thiazole, 2-(chlorophenylmethyl)-4-methyl-;543699-14-5;DTXSID90478037

Chemical Property of Thiazole, 2-(chlorophenylmethyl)-4-methyl-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.0222482
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)C(C2=CC=CC=C2)Cl

Technology Process of Thiazole, 2-(chlorophenylmethyl)-4-methyl-

There total 2 articles about Thiazole, 2-(chlorophenylmethyl)-4-methyl- 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:

2-(α-hydroxybenzyl)-4-methylthiazole (54918-64-8) → 2-(chloro-phenyl-methyl)-4-methyl-thiazole (543699-14-5)

Guidance literature:

With chlorinating agent;

DOI:10.1016/S0040-4020(03)00105-4

Reference yield:

benzaldehyde (100-52-7) → 2-(chloro-phenyl-methyl)-4-methyl-thiazole (543699-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorinating agent

With chlorinating agent;

DOI:10.1016/S0040-4020(03)00105-4

Reference yield: 73.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 2-(chloro-phenyl-methyl)-4-methyl-thiazole (543699-14-5) → 4-methyl-2-(2-phenyl-1-oxaspiro[2.5]oct-2-yl)thiazole

Guidance literature:

2-(chloro-phenyl-methyl)-4-methyl-thiazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

cyclohexanone; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1016/S0040-4020(03)00105-4

upstream raw materials:

2-(α-hydroxybenzyl)-4-methylthiazole

benzaldehyde