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 No. 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)
Basic Information
CAS Number
82586-54-7
Molecular Formula
C36H40N2O9
Molecular Weight
644.72 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
139 ºC
Synonyms & References
English
- Quinapril benzyl ester maleate
- quinapril benzylester
- (S)-benzyl 2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- quinapril benzyl ester
- 82586-54-7
- SCHEMBL4057734
- benzyl (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
- (3S)-2-[2-[[1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid phenylmethyl ester (Z)-2-butenedioate (1:1)
- ethyl 2-[(1-isoquinolin-2-ium-2-yl-1-oxopropan-2-yl)amino]-4-phenylbutanoate
- QUINAPRIL BENZYL ESTER
- 2-[[1-(2-isoquinolin-2-iumyl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester
- 2-[2-{[1-(ETHOXYCARBONYL)-3-PHENYL-PROPYL]AMINO}-1-OXOPROPYL]ISOQUINOLINE
- benzyl ester of (S,S,S)-2-[2-{(1-ethoxycarbonyl)-3-(phenylpropyl)amino}1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid
- ethyl 2-[(1-isoquinolin-2-ium-2-yl-1-oxidanylidene-propan-2-yl)amino]-4-phenyl-butanoate
MDL Number
MFCD08063363
FAQ
What are the physical and chemical properties of 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)?
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.
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?
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.
What industries use 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)?
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.
What precautions should be taken when handling 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)?
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.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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