5-(Chloromethyl)-2-phenyl-1,3-thiazole

Base Information

• Chemical Name: 5-(Chloromethyl)-2-phenyl-1,3-thiazole
• CAS No.: 110704-38-6
• Molecular Formula: C₁₀H₈ClNS
• Molecular Weight: 209.699
• European Community (EC) Number: 822-584-3

Synonyms:5-(chloromethyl)-2-phenyl-1,3-thiazole;110704-38-6;5-(Chloromethyl)-2-phenylthiazole;5-(Chloromethyl)-2-phenyl-1,3-thiazole hydrochloride;SCHEMBL6973608;5-Chloromethyl-2-phenyl-thiazole;AKOS005198700;CS-0252140;EN300-59108

Chemical Property of 5-(Chloromethyl)-2-phenyl-1,3-thiazole

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0065981
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

5-(Chloromethyl)-2-phenyl-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(S2)CCl

Technology Process of 5-(Chloromethyl)-2-phenyl-1,3-thiazole

There total 3 articles about 5-(Chloromethyl)-2-phenyl-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: 87.0%

5-hydroxymethyl-2-phenylthiazole (859485-91-9) → 5-(chloromethyl)-2-phenylthiazole (110704-38-6)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c01372

Reference yield:

2-phenyl-1,3-thiazole-5-carbaldehyde (1011-40-1) → 5-(chloromethyl)-2-phenylthiazole (110704-38-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / ethanol / 0.5 h / 0 - 20 °C / Inert atmosphere

2: thionyl chloride / dichloromethane / 0 - 20 °C / Inert atmosphere

With sodium tetrahydroborate; thionyl chloride; In ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.0c01372

Reference yield:

→ 5-(chloromethyl)-2-phenylthiazole (110704-38-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 5 - 20 ℃; for 1h;

upstream raw materials:

2-phenyl-1,3-thiazole-5-carbaldehyde

5-hydroxymethyl-2-phenylthiazole

Downstream raw materials:

5-(4-Chloro-butylsulfanylmethyl)-2-phenyl-thiazole

5-(1-Oxo-hexahydro-1λ⁴-thiopyran-2-yl)-2-phenyl-thiazole

(1R,2R)-1-Oxo-2-(2-phenyl-thiazol-5-yl)-hexahydro-1λ⁴-thiopyran-2-carbothioic acid methylamide

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