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

Base Information

• Chemical Name: 5-(Chloromethyl)-2-methyl-1,3-thiazole
• CAS No.: 63140-11-4
• Molecular Formula: C5H6ClNS
• Molecular Weight: 147.628
• Hs Code.: 2934100090
• European Community (EC) Number: 853-083-8
• Mol file: 63140-11-4.mol

Synonyms:63140-11-4;5-(chloromethyl)-2-methyl-1,3-thiazole;5-(Chloromethyl)-2-methylthiazole;Thiazole, 5-(chloromethyl)-2-methyl-;5-(CHLOROMETHYL)-2-METHYL-THIAZOLE;MFCD11111716;1,3-DIETHYL 2-(3-NITROPYRIDIN-2-YL)PROPANEDIOATE;5-chloromethyl-2-methylthiazole;SCHEMBL1523701;2-methyl-5-chloromethylthiazole;NHRPDSWALNDCIN-UHFFFAOYSA-N;AKOS006229544;AM806403;BS-12902;SY123548;CS-0037238;EN300-51744;W10368;F9994-0694

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

Chemical Property:

• Melting Point: 43-45 °C
• Boiling Point: 93.5 °C(Press: 13 Torr)
• PKA: 2.79±0.10(Predicted)
• PSA: 41.13000
• Density: 1.271±0.06 g/cm3(Predicted)
• LogP: 2.19030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.9909481
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

5-(chloromethyl)-2-methyl-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(S1)CCl

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

There total 4 articles about 5-(Chloromethyl)-2-methyl-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: 90.0%

5-(hydroxymethyl)-2-methylthiazole (56012-38-5) → 2-methyl-5-thiazolylmethyl chloride (63140-11-4)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

ethyl 2-methylthiazole-5-carboxylate (79836-78-5) → 2-methyl-5-thiazolylmethyl chloride (63140-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 76.5 percent / lithium aluminum hydride / tetrahydrofuran / 24 h

2: 78.7 percent / PCl₅ / toluene

With lithium aluminium tetrahydride; phosphorus pentachloride; In tetrahydrofuran; toluene;

DOI:10.1021/ja00380a022

Reference yield:

2-methyl-1,3-thiazole-5-carboxylic acid (40004-69-1) → 2-methyl-5-thiazolylmethyl chloride (63140-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; chloroformic acid ethyl ester / tetrahydrofuran / 1 h / -10 °C

1.2: 2 h / 20 °C

2.1: thionyl chloride / dichloromethane / 1 h / 0 - 20 °C

With thionyl chloride; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; dichloromethane;

upstream raw materials:

5-(hydroxymethyl)-2-methylthiazole

ethyl 2-methylthiazole-5-carboxylate

2-methyl-1,3-thiazole-5-carboxylic acid

Downstream raw materials:

1-(2-methyl-5-thiazolyl)methyl-2-nitromethylene-imidazolidine

decane

(2-methyl-1,3-thiazol-5-yl)methanamine

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