4-(Chloromethyl)-2-methylthiazole

Base Information

• Chemical Name: 4-(Chloromethyl)-2-methylthiazole
• CAS No.: 39238-07-8
• Molecular Formula: C5H6ClNS
• Molecular Weight: 147.628
• Hs Code.: 2934100090
• European Community (EC) Number: 640-597-0
• DSSTox Substance ID: DTXSID40353002
• Nikkaji Number: J1.447.179K
• ChEMBL ID: CHEMBL5194683
• Mol file: 39238-07-8.mol

Synonyms:39238-07-8;4-(Chloromethyl)-2-methylthiazole;4-(chloromethyl)-2-methyl-1,3-thiazole;thiazole, 4-(chloromethyl)-2-methyl-;4-chloromethyl-2-methyl-1,3-thiazole;MFCD00051642;2-methyl-4-chloromethylthiazole;2-methyl-4-chloromethyl-1,3-thiazole;4-chloromethyl-2-methyl-thiazole;4-chloromethyl-2-methylthiazole;4-chlormethyl-2-methylthiazol;SCHEMBL208648;CHEMBL5194683;DTXSID40353002;AQBBZYVPKBIILN-UHFFFAOYSA-N;2-Methyl-4-(chloromethyl)thiazole;STR05454;4-(Chloromethyl)-2-methyl-thiazole;AKOS000320859;AB02129;AMY202100079;SY013781;BB 0218324;FT-0616726;EN300-35410;J-513693;Z56943451;F2190-0297;4-(Chloromethyl)-2-methylthiazole inhibited with 300 ppm of propylene oxide

Chemical Property of 4-(Chloromethyl)-2-methylthiazole

Chemical Property:

• Vapor Pressure: 0.195mmHg at 25°C
• Melting Point: 160-165 °C
• Boiling Point: 217.5 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 41.13000
• Density: 1.271 g/cm³
• LogP: 2.19030
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°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:

98%,99%, ^*data from raw suppliers

4-(Chloromethyl)-2-methyl-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 34-36/37
• Safety Statements: 26-27-36/37/39-45-23

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC(=CS1)CCl

Technology Process of 4-(Chloromethyl)-2-methylthiazole

There total 13 articles about 4-(Chloromethyl)-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: 99.5%

4-chloromethyl-2-methylthiazole hydrochloride (77470-53-2) → 4-(chloromethyl)-2-methyl-1,3-thiazole (39238-07-8)

Guidance literature:

With potassium carbonate; In diethyl ether; water; at 20 ℃; for 0.25h; Inert atmosphere;

Reference yield: 97.0%

thioacetamide (62-55-5) + 1,3-Dichloroacetone (534-07-6) → 4-(chloromethyl)-2-methyl-1,3-thiazole (39238-07-8)

Guidance literature:

In acetone;

Reference yield: 95.0%

C5H8ClNOS*ClH (22043-38-5) → 4-(chloromethyl)-2-methyl-1,3-thiazole (39238-07-8)

Guidance literature:

With zinc(II) chloride; In methanol; for 12h; Reflux;

DOI:10.1039/b916123f

upstream raw materials:

ethanol

thioacetamide

1,3-Dichloroacetone

ethyl 2-cyanoacetate

Downstream raw materials:

7-(2-methyl-thiazol-4-ylmethoxy)-4-oxo-3-phenyl-4H-chromene-2-carboxylic acid ethyl ester

5-[4-(2-Methyl-thiazol-4-ylmethoxy)-benzyl]-thiazolidine-2,4-dione

methyl 3-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-(2-methylthiazol-4-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate

1-(3-bromo-phenyl)-4-(2-methyl-thiazol-4-ylmethyl)-piperazine

Refernces

• 1、 -. "COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES". Page/Page column 105. . Retrieved 2019/07/19.
• 2、 -. "1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS". Paragraph 0494-0495. . Retrieved 2019/07/10.