Thiazole, 4-(chloromethyl)-2-(1-methylethyl)-


Chemical Name: Thiazole, 4-(chloromethyl)-2-(1-methylethyl)-
CAS Number: 40516-57-2
Product Number: AG00C0K8(AGN-PC-07A1U6)
Synonyms:
MDL No:
Molecular Formula: C7H10ClNS
Molecular Weight: 175.6790

Identification/Properties


Properties
BP:
235.8 °C at 760 mmHg
Storage:
2-8℃;
Computed Properties
Molecular Weight:
175.674g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
175.022g/mol
Monoisotopic Mass:
175.022g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
108
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-(Chloromethyl)-2-isopropylthiazole is a versatile compound that finds significant application in chemical synthesis, particularly in the field of pharmaceuticals and agrochemicals. Its unique structure allows for various functional group modifications, making it a valuable building block in the creation of complex organic molecules.One key application of 4-(Chloromethyl)-2-isopropylthiazole is as a precursor in the synthesis of thiazole-based drugs and pesticides. By reacting with different reagents and catalysts, this compound can undergo various reactions such as nucleophilic substitution, Friedel-Crafts acylation, and Heck coupling, enabling the synthesis of a wide range of biologically active compounds.Furthermore, the presence of a chloromethyl group in 4-(Chloromethyl)-2-isopropylthiazole provides a site for further derivatization, allowing for the introduction of additional functionalities to tailor the properties of the final product. This versatility makes it a valuable tool for medicinal chemists and researchers in the development of new therapeutics and agrochemicals with improved efficacy and reduced environmental impact.In summary, the use of 4-(Chloromethyl)-2-isopropylthiazole in chemical synthesis offers a practical and efficient route to access diverse compounds of pharmaceutical and agricultural importance, highlighting its significance in modern drug discovery and crop protection research.