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


Chemical Name: 5-(chloromethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole
CAS Number: 317319-33-8
Product Number: AG00C9JW(AGN-PC-01XG54)
Synonyms:
MDL No:
Molecular Formula: C12H8ClF4NS
Molecular Weight: 309.7102

Identification/Properties


Computed Properties
Molecular Weight:
309.707g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
309g/mol
Monoisotopic Mass:
309g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
315
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(Chloromethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazole is a versatile compound commonly utilized in chemical synthesis due to its unique structural properties. This compound serves as an important building block in the synthesis of various pharmaceuticals, agrochemicals, and materials. Its chloromethyl group makes it a valuable intermediate for introducing functional groups or forming bonds with other molecules through nucleophilic substitution or palladium-catalyzed cross-coupling reactions. Additionally, the presence of the fluoro and trifluoromethyl substituents enhances the compound's reactivity and provides opportunities for further diversification in organic transformations. The thiazole ring in the molecule offers additional synthetic handles for modification and allows for the creation of structurally diverse compounds with potential biological activities. Overall, the strategic incorporation of 5-(Chloromethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazole in synthesis offers synthetic chemists a valuable tool for accessing novel molecular architectures and functional materials.