4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride

Base Information

• Chemical Name: 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride
• CAS No.: 23421-57-0
• Molecular Formula: C11H10 Cl N O S
• Molecular Weight: 239.725
• Hs Code.: 2934100090
• ChEMBL ID: CHEMBL1374040
• DSSTox Substance ID: DTXSID10583278
• Mol file: 23421-57-0.mol

Synonyms:4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride;1052538-51-8;4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole;hydrochloride;MLS001061316;CHEMBL1374040;DTXSID10583278;CSB53851;MFCD07308421;AKOS027380753;SMR000384988;CS-0224883;EN300-12158;G56660;SR-01000729394;SR-01000729394-2;Z85956650;4-(Chloromethyl)-2-(4-methoxyphenyl)thiazolehydrochloride;4-Chloromethyl-2-(4-methoxyphenyl)-thiazole hydrochloride;4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole--hydrogen chloride (1/1)

Chemical Property of 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride

Chemical Property:

• Vapor Pressure: 9.01E-06mmHg at 25°C
• Boiling Point: 384.5°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 50.36000
• Density: 1.267g/cm³
• LogP: 4.35950
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 274.9938405
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

4-(Chloromethyl)-2-(4-methoxyphenyl)thiazolehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)CCl.Cl

Technology Process of 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride

There total 5 articles about 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride 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: 95.0%

4-methoxy-thiobenzimidic acid 3-chloro-2-oxo-propyl ester hydrochloride → 4-chloromethyl-2-(4-methoxy-phenyl)-thiazole (23421-57-0)

Guidance literature:

at 200 ℃; for 0.25h;

Reference yield: 82.0%

p-methoxythiobenzamide (2362-64-3) + 1,3-Dichloroacetone (534-07-6) → 4-chloromethyl-2-(4-methoxy-phenyl)-thiazole (23421-57-0)

Guidance literature:

p-methoxythiobenzamide; 1,3-Dichloroacetone; In chlorobenzene; at 20 ℃; for 6h;

In methanol; for 5h;

Reference yield:

4-methoxybenzonitrile (874-90-8) → 4-chloromethyl-2-(4-methoxy-phenyl)-thiazole (23421-57-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; triethylamine; diammonium sulfide / water / 50 °C

2: toluene / Reflux

With pyridine; diammonium sulfide; triethylamine; In water; toluene;

DOI:10.1021/jm401643m

upstream raw materials:

p-methoxythiobenzamide

1,3-Dichloroacetone

4-methoxybenzonitrile

4-methoxyphenylacetamide

Downstream raw materials:

4-amino-6-(benzo[d][1,3]dioxol-5-yl)-2-((2-(4-methoxyphenyl)thiazol-4-yl)methylthio)pyrimidine-5-carbonitrile

4-(4-chloromethyl-thiazol-2-yl)-phenol

Refernces

• 1、 Coman, Fana-Maria,Mbaveng, Armelle T.,Leonte, Denisa,Bencze, László Csaba,Vlase, Laurian,Imre, Silvia,Kuete, Victor,Efferth, Thomas,Zaharia, Valentin. "Heterocycles 44. Synthesis, characterization and anticancer activity of new thiazole ortho-hydroxychalcones". . p. 1396 - 1407. Retrieved 2018/03/06.
• 2、 -. "PRODUCTION METHOD OF AROMATIC THIAZOLE COMPOUND". Paragraph 0081. . Retrieved 2017/01/02.