CAS 1212180-29-4

Carbamic acid, N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-, phenylmethyl ester, rel-

Description:

Carbamic acid, N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-, phenylmethyl ester, with the CAS number 1212180-29-4, is a chemical compound characterized by its carbamate functional group, which is derived from carbamic acid. This compound features a cyclohexyl moiety with a hydroxymethyl substituent, contributing to its stereochemistry and potential biological activity. The presence of the phenylmethyl ester indicates that it has an aromatic component, which may enhance its lipophilicity and influence its interactions in biological systems. The stereochemistry, denoted by the (1R,3S) configuration, suggests specific spatial arrangements that can affect the compound's reactivity and binding properties. Typically, carbamates are known for their applications in pharmaceuticals and agrochemicals, often acting as enzyme inhibitors or intermediates in synthetic pathways. The solubility, stability, and reactivity of this compound would depend on its specific molecular structure and the functional groups present, making it of interest for further research in medicinal chemistry and related fields.

Formula: C₁₅H₂₁NO₃

InChI: InChI=1/C15H21NO3/c17-10-13-7-4-8-14(9-13)16-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)/t13-,14+/s2

InChI key: InChIKey=QYHAKPLUUUMEFH-DUXBJXIBNA-N

SMILES: N(C(OCC1=CC=CC=C1)=O)[C@@H]2C[C@H](CO)CCC2

Synonyms:

• Carbamic acid, N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-, phenylmethyl ester, rel-