CAS 1217699-69-8

rel-(R,4R)-4-(4-Bromo-2-methylphenoxy)-D-proline methyl ester

Description:

The chemical substance known as rel-(R,4R)-4-(4-Bromo-2-methylphenoxy)-D-proline methyl ester, with the CAS number 1217699-69-8, is a chiral compound that belongs to the class of proline derivatives. It features a proline backbone, which is an amino acid known for its role in protein structure and function. The presence of a bromine atom and a methyl group on the aromatic ring contributes to its unique chemical properties and potential biological activity. The methyl ester functional group indicates that the carboxylic acid of the proline is esterified, which can influence its solubility and reactivity. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its stereochemistry, particularly the (R) and (4R) configurations, is crucial for its biological interactions, as chirality can significantly affect the efficacy and safety of pharmaceutical agents. Overall, this compound's structural features suggest potential applications in various fields, including pharmaceuticals and biochemistry.

Formula: C₁₃H₁₆BrNO₃

InChI: InChI=1/C13H16BrNO3/c1-8-5-9(14)3-4-12(8)18-10-6-11(15-7-10)13(16)17-2/h3-5,10-11,15H,6-7H2,1-2H3/t10-,11-/s2

InChI key: InChIKey=FGKUOGOMLYRVOK-DUJBIPCPNA-N

SMILES: O(C1=C(C)C=C(Br)C=C1)[C@H]2C[C@@H](C(OC)=O)NC2

Synonyms:

• D-Proline, 4-(4-bromo-2-methylphenoxy)-, methyl ester, (R,4R)-rel-
• rel-(R,4R)-4-(4-Bromo-2-methylphenoxy)-D-proline methyl ester