CAS 135367-08-7

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

Description:

Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 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 bromophenyl group suggests that it has significant aromatic characteristics, which can influence its reactivity and interaction with biological systems. The compound features a carboxylate ester functional group, which typically enhances solubility in organic solvents and may affect its pharmacokinetic properties. The stereochemistry indicated by the (1R,2S,3S,5S) configuration suggests that the compound has specific spatial arrangements that can be crucial for its biological activity, potentially impacting receptor binding and overall efficacy. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural complexity and potential biological activity. However, specific properties such as melting point, boiling point, and solubility would require experimental determination or literature reference for precise values.

Formula: C₁₆H₂₀BrNO₂

InChI: InChI=1S/C16H20BrNO2/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-/m0/s1

InChI key: InChIKey=HNVGNUVAMRLMSG-YJNKXOJESA-N

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

Synonyms:

• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-bromophenyl)-8-methyl-, methyl ester, [1R-(exo,exo)]-
• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-bromophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
• RTI 4229-51
• RTI 51
• Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

2ß-Carbomethoxy-3ß-(4-bromophenyl)tropane (RTI-51)

CAS: 135367-08-7

Formula: C₁₆H₂₀BrNO₂

Molecular weight: 338.25

Ref: 4Z-T-292006