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CAS 130194-96-6

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Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Description:
Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate, with the CAS number 130194-96-6, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system, indicating it is a bicyclic amine. The compound features a carboxylate ester functional group, contributing to its reactivity and potential applications in organic synthesis. The stereochemistry is defined by specific configurations at multiple chiral centers, which can influence its biological activity and interactions. This compound may exhibit properties typical of alkaloids, such as potential pharmacological effects, and is of interest in medicinal chemistry. Its structural complexity suggests it could be involved in various chemical reactions, including nucleophilic substitutions and cycloadditions. The presence of the phenylethyl group may enhance lipophilicity, affecting its solubility and permeability in biological systems. Overall, this compound's unique structural features and functional groups make it a subject of interest for further research in both synthetic and medicinal chemistry.
Formula:C16H19NO2
InChI:InChI=1S/C16H19NO2/c1-11(12-6-4-3-5-7-12)17-14-9-8-13(10-14)15(17)16(18)19-2/h3-9,11,13-15H,10H2,1-2H3/t11-,13+,14-,15+/m1/s1
InChI key:InChIKey=PWUWUKQPSOGOPL-BEAPCOKYSA-N
SMILES:[C@H](C)(N1[C@H](C(OC)=O)[C@@]2(C[C@]1(C=C2)[H])[H])C3=CC=CC=C3
Synonyms:
  • 2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-[(1R)-1-phenylethyl]-, methyl ester, (1S,3S,4R)-
  • Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
  • Methyl (1S,3S,4R)-2-((1R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
  • 2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-(1-phenylethyl)-, methyl ester, [1S-[1α,2(S*),3α,4α]]-
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