CAS 130342-80-2

Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Description:

Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, with CAS number 130342-80-2, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom within the ring system, indicating it is a bicyclic amine. The presence of a carboxylate group suggests it has potential acidic properties, while the methyl and chlorophenyl substituents contribute to its lipophilicity and may influence its biological activity. The specific stereochemistry denoted by the (1R,2S,3S,5S) configuration indicates that the compound has multiple chiral centers, which can significantly affect its pharmacological properties and interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with various receptors or enzymes. Its unique combination of functional groups and stereochemistry may also provide insights into its potential applications in drug design and development.

Formula: C₁₆H₂₀ClNO₂

InChI: InChI=1/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13?,14-,15?/m1/s1

InChI key: InChIKey=ZEOHVQFWFVMPGM-YJNKXOJESA-N

SMILES: C(OC)(=O)[C@H]1[C@H](C[C@]2(N(C)[C@@]1(CC2)[H])[H])C3=CC=C(Cl)C=C3

Synonyms:

• 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, methyl ester, (1R-(exo,exo))-
• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
• Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• O 371
• Rti-coc 31
• methyl (1R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• 3-(4-Chlorophenyl)tropane-2-carboxylic acid methyl ester

RTI-COC 31

Controlled Product

CAS: 130342-80-2

Formula: C₁₆H₂₀ClNO₂

Color and Shape: Neat

Molecular weight: 293.79

Ref: TR-R701120