Compound Q&A
How is (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8) typically synthesized?
Answer
![(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)](https://static.chemtradehub.com/structs/876/87679-71-8-64cd.webp "(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)")
This compound is typically synthesized via a multi-step process involving amidation and cyclization reactions. The initial step involves the condensation of a carboxylic acid with an amine to form an amide. Subsequent steps involve the cyclization of the intermediate amide to form the final indole derivative. The reaction is catalyzed by common reagents such as HOBt and DCC, and the overall yield is around 60-70%.
About
CAS No
87679-71-8
English Name
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)
Molecular Formula
C22H30N2O5
Molecular Weight
420.51 g/mol
SMILES
C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1.O
InChIKey
AHYHTSYNOHNUSH-HXFGRODQSA-N
Last Updated: 2025-11-07 19:01
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![(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — ShenZhenAiTaHuaXue Co Ltd](https://static.chemtradehub.com/suppliers/67ced0fb2b2de6e8e95a67fa/67ced0fb2b2de6e8e95a67fa-logo.webp){kind=logo}