4-(Chloromethyl)-2-(3,4-dichlorophenyl)-1,3-thiazole

Base Information

• Chemical Name: 4-(Chloromethyl)-2-(3,4-dichlorophenyl)-1,3-thiazole
• CAS No.: 89873-42-7
• Molecular Formula: C10H6Cl3NS
• Molecular Weight: 278.589
• DSSTox Substance ID: DTXSID80525842
• Wikidata: Q82393758

Synonyms:89873-42-7;4-(Chloromethyl)-2-(3,4-dichlorophenyl)-1,3-thiazole;4-(chloromethyl)-2-(3,4-dichlorophenyl)thiazole;SCHEMBL11064024;DTXSID80525842;ITDVLYBNNYRMRH-UHFFFAOYSA-N

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

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 276.928653
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=NC(=CS2)CCl)Cl)Cl

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

There total 2 articles about 4-(Chloromethyl)-2-(3,4-dichlorophenyl)-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: 83.0%

3,4-dichlorobenzothioamide (22179-73-3) + 1,3-Dichloroacetone (534-07-6) → 4-(chloromethyl)-2-(3,4-dichlorophenyl)thiazole (89873-42-7)

Guidance literature:

In toluene; Reflux;

DOI:10.1021/jm401643m

Reference yield:

3,4-dichloro-benzonitrile (6574-99-8) → 4-(chloromethyl)-2-(3,4-dichlorophenyl)thiazole (89873-42-7)

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

Reference yield: 86.0%

4-(chloromethyl)-2-(3,4-dichlorophenyl)thiazole (89873-42-7) + 2-amino-4-(4-methoxyphenyl)-6-mercaptopyridine-3,5-dicarbonitrile (110691-01-5) → 2-amino-6-{[2-(3,4-dichlorophenyl)thiazol-4-yl]methylthio}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2015.07.023

upstream raw materials:

3,4-dichlorobenzothioamide

1,3-Dichloroacetone

3,4-dichloro-benzonitrile

Downstream raw materials:

S-<2-(3,4-dichlorophenyl)thiazol-4-yl>methylisothiuronium hydrochloride

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

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