5-(2-Thiazolyl)isoxazole-3-carboxylic Acid


Chemical Name: 5-(2-Thiazolyl)isoxazole-3-carboxylic Acid
CAS Number: 933759-69-4
Product Number: AG003M47(AGN-PC-0WAAQ0)
Synonyms:
MDL No: MFCD22192337
Molecular Formula: C7H4N2O3S
Molecular Weight: 196.1833

Identification/Properties


Properties
BP:
487.6±55.0°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Computed Properties
Molecular Weight:
196.18g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
195.994g/mol
Monoisotopic Mass:
195.994g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
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


NMR Spectrum


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Chemical Structure



5-(Thiazol-2-yl)isoxazole-3-carboxylic acid serves as a versatile building block in chemical synthesis due to its unique structure and reactivity. This compound is commonly utilized as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. In organic chemistry, it acts as a valuable starting material for the construction of complex heterocyclic compounds through different synthetic strategies such as cyclization reactions, cross-coupling reactions, and functional group transformations. Its presence in a molecule can influence its biological activity and physicochemical properties, making it a valuable component in drug discovery and material science research. This compound's reactivity and functional groups offer a wide range of synthetic possibilities, making it a valuable tool for chemists in designing and developing novel molecules with diverse applications.