4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Base Information

• Chemical Name: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• CAS No.: 135873-35-7
• Molecular Formula: C11H7ClF3NS
• Molecular Weight: 277.697
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00371489
• Wikidata: Q82158823
• Mol file: 135873-35-7.mol

Synonyms:135873-35-7;4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;4-Chloromethyl-2-[4-(trifluoromethyl)phenyl]thiazole;4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazole;4-(Chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole;4-(Chloromethyl)-2-[4-(Trifluoromethyl)Phenyl]-Thiazole;C11H7ClF3NS;4-Chloromethyl-2-(4-trifluoromethylphenyl)thiazole;4-chloromethyl-2-(4-trifluoromethyl-phenyl)-thiazole;SCHEMBL2236881;DTXSID00371489;MFCD00277208;STL302030;AKOS001372557;PS-10637;FT-0616724;EN300-27103;A806999;Z235344765

Chemical Property of 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 80 °C
• Refractive Index: 1.537
• Boiling Point: 345.7°Cat760mmHg
• Flash Point: 162.9°C
• PSA: 41.13000
• Density: 1.398g/cm³
• LogP: 4.56770
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 276.9939826
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

There total 3 articles about 4-(Chloromethyl)-2-[4-(trifluoromethyl)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: 97.0%

4-trifluoromethylbenzthioamide (72505-21-6) + 1,3-Dichloroacetone (534-07-6) → 4-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole (135873-35-7)

Guidance literature:

In toluene; Reflux;

DOI:10.1021/jm401643m

Reference yield:

4-CF3C6H4CN (455-18-5) → 4-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole (135873-35-7)

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:

→ 4-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole (135873-35-7)

Guidance literature:

upstream raw materials:

4-trifluoromethylbenzthioamide

1,3-Dichloroacetone

4-CF₃C₆H₄CN

Downstream raw materials:

{2-[4-(trifluoromethyl)phenyl]thiazol-4-yl}methylamine hydrochloride

2-[2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethyl]-2-(3,3,3-trifluoropropyl)-malononitrile