ethyl 1,3-benzoxazole-5-carboxylate


Chemical Name: ethyl 1,3-benzoxazole-5-carboxylate
CAS Number: 1404370-64-4
Product Number: AG001CF8(AGN-PC-03H4KG)
Synonyms:
MDL No: MFCD22682802
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties


Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
191.058g/mol
Monoisotopic Mass:
191.058g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
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:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 5-benzoxazolecarboxylate is a versatile compound widely utilized in chemical synthesis, particularly in the pharmaceutical and agrochemical industries. This compound serves as a valuable building block in the synthesis of various organic compounds due to its unique structural features and reactivity.In chemical synthesis, Ethyl 5-benzoxazolecarboxylate can be used as a precursor for the preparation of diverse pharmacologically active compounds, such as anti-inflammatory agents, antimicrobial agents, and antiviral drugs. Its benzoxazole moiety confers desirable biological properties to the synthesized molecules, making it a key intermediate in drug discovery and development.Furthermore, Ethyl 5-benzoxazolecarboxylate can participate in various chemical transformations, including esterification, hydrogenation, and nucleophilic substitution reactions, enabling the efficient and selective functionalization of its structure. This allows for the creation of novel molecules with tailored properties and activities, offering new opportunities for drug design and synthesis.Overall, the strategic incorporation of Ethyl 5-benzoxazolecarboxylate into synthetic routes enables chemists to access a wide range of bioactive compounds with potential therapeutic applications, highlighting its significance as a valuable tool in modern chemical synthesis.