CAS 5441-04-3

methyl 3-methyl-3-phenyloxirane-2-carboxylate

Description:

Methyl 3-methyl-3-phenyloxirane-2-carboxylate, with the CAS number 5441-04-3, is an organic compound characterized by its epoxide structure, which features a three-membered cyclic ether. This compound contains a methyl group and a phenyl group attached to the epoxide ring, as well as a carboxylate functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the epoxide group indicates that it can undergo ring-opening reactions, making it useful in various chemical transformations. Additionally, the carboxylate moiety can participate in nucleophilic substitution reactions, enhancing its versatility in synthetic chemistry. Methyl 3-methyl-3-phenyloxirane-2-carboxylate is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its properties, such as solubility and boiling point, are influenced by the functional groups present and the overall molecular structure. This compound may be of interest in the development of pharmaceuticals, agrochemicals, or as an intermediate in the synthesis of more complex organic molecules.

Formula: C₁₁H₁₂O₃

InChI: InChI=1/C11H12O3/c1-11(8-6-4-3-5-7-8)9(14-11)10(12)13-2/h3-7,9H,1-2H3

SMILES: CC1(c2ccccc2)C(C(=O)OC)O1

3-Methyl-3-phenyl-2-oxiranecarboxylic Acid Methyl Ester

Controlled Product

CAS: 5441-04-3

Applications 3-Methyl-3-phenyl-2-oxiranecarboxylic Acid Methyl Ester is an intermediate in the synthesis of 4,6-Dimethoxy-β-methyl-3-phenoxy Ambrisentan (Mixture of Diastereomers) (D460510). 4,6-Dimethoxy-β-methyl-3-phenoxy Ambrisentan (Mixture of Diastereomers) is a related compound of Ambrisentan (A575860) used as endothelin receptor antagonist in treating cancer.
References Nelson, J., et al.: Nature Med., 1, 944 (1995); Riechers, H., et al.: J. Med. Chem., 39, 2123 (1996)

Formula: C₁₁H₁₂O₃

Color and Shape: Brown

Molecular weight: 192.21

Ref: TR-M338665