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)
![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) 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)
CAS Number
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Other Suppliers for 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)
Basic Information
Molecular Formula
C36H40N2O9
Molecular Weight
644.72 g/mol
Physical Properties
Melting Point
139 ºC
Chemical Identifiers
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
Database References
MDL Number
MFCD08063363
FAQ
The compound is a white crystalline solid with a molecular weight of approximately 632.6 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under normal storage conditions but may decompose at high temperatures or in the presence of strong acids or bases.
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.
This compound is primarily used in the pharmaceutical industry for the synthesis of certain drug molecules. It may also find applications in the polymer industry for improving the properties of polymer materials. Additionally, it could be used in the development of sensors and as a precursor in semiconductor manufacturing processes.
Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up carefully using an appropriate absorbent material. The SDS (Safety Data Sheet) for this compound should always be consulted for detailed handling and safety information.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
Contact Person
Manager Chen
2885409035@qq.com
Mobile
18186386804
Telephone
0714-5333089
Visit Website
https://www.yongstandards.com/Address
No. 176 Hangzhou West Road, Huangshi City, Hubei Province



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![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)
![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) — ShenZhenAiTaHuaXue Co Ltd](https://static.chemtradehub.com/suppliers/67ced0fb2b2de6e8e95a67fa/67ced0fb2b2de6e8e95a67fa-logo.webp)