Compound Q&A
How is Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1) (CAS: 82586-54-7) typically synthesized?
Answer
![Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)](https://static.chemtradehub.com/structs/825/82586-54-7-6819.webp "Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)")
The compound is typically synthesized via a multi-step process involving the condensation of benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate with (2Z)-2-butenedioic acid in the presence of a suitable catalyst. The reaction proceeds with high selectivity and yields up to 90%. The specific conditions, including temperature and solvent, are critical for achieving the desired yield and purity.
About
CAS No
82586-54-7
English Name
Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1)
Molecular Formula
C36H40N2O9
Molecular Weight
644.72 g/mol
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=CC=CC=C4
InChIKey
YVLOIKSAYRUXIX-IZSITSNPSA-N
Last Updated: 2025-12-31 16:27
![Benzyl (3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (2Z)-2-butenedioate (1:1) — Jin Jinle (Hunan) Chemical Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce76192b2de6e8e95a464e/67ce76192b2de6e8e95a464e-logo.webp){kind=logo}