5-Benzoxazoleacetic acid, methyl ester


Chemical Name: 5-Benzoxazoleacetic acid, methyl ester
CAS Number: 97479-79-3
Product Number: AG00IJY8(AGN-PC-00YU6J)
Synonyms:
MDL No:
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties


Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
1.6
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2-(benzo[d]oxazol-5-yl)acetate is a versatile compound commonly used in chemical synthesis as a key building block for the construction of various pharmaceuticals, agrochemicals, and functional molecules. This compound is particularly valued for its ability to serve as a precursor in the synthesis of heterocyclic compounds, which are essential structural motifs found in a wide range of bioactive molecules.In the realm of drug discovery and development, Methyl 2-(benzo[d]oxazol-5-yl)acetate plays a crucial role in the preparation of novel pharmaceutical agents with diverse pharmacological properties. By incorporating this compound into synthetic routes, chemists can access a plethora of biologically active compounds, such as anticancer drugs, antimicrobial agents, and neuroprotective compounds.Additionally, Methyl 2-(benzo[d]oxazol-5-yl)acetate serves as a valuable intermediate in the synthesis of agrochemicals with pesticidal, herbicidal, or fungicidal activities. Its structural versatility allows for the creation of custom-designed molecules tailored to exhibit specific biological functions, enhancing crop protection and agricultural sustainability.Furthermore, in the field of materials science and organic electronics, Methyl 2-(benzo[d]oxazol-5-yl)acetate is utilized in the synthesis of functionalized materials and organic semiconductors. Its presence in the molecular structure imparts desirable electronic properties, making it a vital component in the fabrication of organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), and organic field-effect transistors (OFETs).Overall, the application of Methyl 2-(benzo[d]oxazol-5-yl)acetate in chemical synthesis is paramount in the creation of new molecules with diverse functionalities, positioning it as a valuable tool for researchers and chemists in designing innovative compounds for various industrial applications.