tert-butyl N-(4-bromo-1,3-thiazol-2-yl)-N-methylcarbamate


Chemical Name: tert-butyl N-(4-bromo-1,3-thiazol-2-yl)-N-methylcarbamate
CAS Number: 1000576-79-3
Product Number: AG0000QW(AGN-PC-05SPMM)
Synonyms:
MDL No:
Molecular Formula: C9H13BrN2O2S
Molecular Weight: 293.1807

Identification/Properties


Computed Properties
Molecular Weight:
293.179g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
291.988g/mol
Monoisotopic Mass:
291.988g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
245
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The tert-Butyl (4-bromothiazol-2-yl)(methyl)carbamate is a versatile compound widely used in chemical synthesis for a variety of applications. Its unique structure and properties make it an essential building block in the creation of diverse pharmaceuticals, agrochemicals, and specialty chemicals. By incorporating this compound into reactions, chemists can introduce the thiazole and carbamate functional groups simultaneously, opening up new pathways for the synthesis of complex molecules with enhanced biological activities or specific properties. Furthermore, the tert-Butyl (4-bromothiazol-2-yl)(methyl)carbamate serves as a valuable tool in the development of novel drug candidates, agricultural compounds, and materials for various industrial purposes. Its strategic use in chemical synthesis allows for the efficient and controlled assembly of molecular structures, enabling researchers to explore unprecedented synthetic routes and design innovative compounds with tailored functions and characteristics.