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

Base Information

• Chemical Name: 5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole
• CAS No.: 317319-33-8
• Molecular Formula: C12H8ClF4NS
• Molecular Weight: 309.71000
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80594816
• Nikkaji Number: J2.054.786C
• Wikidata: Q82489724
• Mol file: 317319-33-8.mol

Synonyms:317319-33-8;5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole;2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-5-CHLOROMETHYL THIAZOLE;5-(Chloromethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazole;5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)-phenyl]-4-methyl-1,3-thiazole;QZRTZQRCEAOOLW-UHFFFAOYSA-N;HA-0841;SCHEMBL21879813;DTXSID80594816;MFCD07369415;AKOS005072966;DB-260572;J-018523;J-516311

Chemical Property of 5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole

Chemical Property:

• PSA: 41.13000
• LogP: 5.01520
• Solubility.: Dichloromethane, Ether, Ethyl Acetate, Methanol
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 309.0002108
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

98%min ^*data from raw suppliers

2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-chloromethylThiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)C(F)(F)F)F)CCl
• Uses: 2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-chloromethyl Thiazole (cas# 317319-33-8) is a compound useful in organic synthesis.

Technology Process of 5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole

There total 3 articles about 5-(Chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-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: 100.0%

5-hydroxymethyl-4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole (317319-27-0) → 5-chloromethyl-4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole (317319-33-8)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 ℃;

DOI:10.1016/S0960-894X(03)00207-5

Reference yield:

3-fluoro-4-(trifluoromethyl)thiobenzamide (317319-16-7) → 5-chloromethyl-4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole (317319-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / ethanol / Heating

2: 87 percent / LiAlH₄ / tetrahydrofuran / 20 °C

3: 100 percent / MeSO₂Cl; Et₃N / CH₂Cl₂ / 0 °C

With lithium aluminium tetrahydride; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1016/S0960-894X(03)00207-5

Reference yield:

ethyl 4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole-5-carboxylate (317319-21-4) → 5-chloromethyl-4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole (317319-33-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / LiAlH₄ / tetrahydrofuran / 20 °C

2: 100 percent / MeSO₂Cl; Et₃N / CH₂Cl₂ / 0 °C

With lithium aluminium tetrahydride; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0960-894X(03)00207-5

upstream raw materials:

5-hydroxymethyl-4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole

3-fluoro-4-(trifluoromethyl)thiobenzamide

ethyl 4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]thiazole-5-carboxylate

Downstream raw materials:

C₁₉H₁₅F₄NOSSe