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methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
$300.00
CAS No.: 72752-81-9
Catalog No.: 196171
Purity: 95%
MF: C9H7NO3S
MW: 209.226
Storage: 2-8 degree Celsius
SMILES: SC=1OC2=C(N1)C=CC(=C2)C(=O)OC
Catalog No.: 196171
Purity: 95%
MF: C9H7NO3S
MW: 209.226
Storage: 2-8 degree Celsius
SMILES: SC=1OC2=C(N1)C=CC(=C2)C(=O)OC
methyl 2-mercaptobenzo[d]oxazole-6-carboxylate; CAS No.: 72752-81-9; methyl 2-mercaptobenzo[d]oxazole-6-carboxylate. PROPERTIES: This compound features a methyl 2-mercaptobenzo[d]oxazole-6-carboxylate structure, combining a thiolic group, a benzo[d]oxazole ring system, and an ester functionality. It typically appears as a white to pale yellow crystalline solid with a molecular weight of approximately 222.2 g/mol (C10H7NO3S). The melting point ranges between 150-155 C, and it exhibits moderate solubility in common organic solvents like DMSO, DMF, and ethyl acetate while being sparingly soluble in water. Proper storage requires a tightly sealed container in a cool, dry place, preferably under an inert atmosphere to prevent oxidation of the thiol group. Safety precautions include wearing appropriate PPE and working in a well-ventilated area. It is classified as a skin and eye irritant (GHS07) with the hazard statement H315-H319. APPLICATIONS: Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate serves as a versatile intermediate in pharmaceutical and chemical synthesis. Its methyl 2-mercaptobenzo[d]oxazole-6-carboxylate structure allows for diverse reactivity patterns, including alkylation at the thiol sulfur and ester hydrolysis. In medicinal chemistry, it is used to develop covalent inhibitors that target cysteine residues in enzymes and proteins. The thiol group can form disulfide bonds or Michael adducts with appropriate electrophiles. This compound also functions as a building block in the synthesis of fluorescent dyes and bioconjugation reagents, where the benzo[d]oxazole moiety contributes to fluorescence properties. Academic research employs it as a starting material in Organic Chemistry journals, focusing on the development of novel thiol-containing heterocycles based on the methyl 2-mercaptobenzo[d]oxazole-6-carboxylate scaffold.
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