(2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester is a complex chiral chemical compound featuring a hydroxybenzylbutanedioic acid moiety and a 1-azabicyclo[3.3.0]octan-4-ylmethyl ester group. Its unique structure, with a stereocenter at the 2-position of the butanedioic acid and the presence of benzyl and methyl groups, suggests potential pharmaceutical or biological applications.
23412-99-9
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Basic information
- Product Name: (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester
- Synonyms: (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester;Phalaenopsine La;Phalenopsine La
- CAS NO:23412-99-9
- Molecular Formula: C20H27 N O5
- Molecular Weight: 361.43
- EINECS: N/A
- Product Categories: N/A
- Mol File: 23412-99-9.mol
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Chemical Properties
- Melting Point: 125-135 °C
- Boiling Point: 501.0±50.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.23±0.1 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 11.67±0.29(Predicted)
- CAS DataBase Reference: (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester(23412-99-9)
- EPA Substance Registry System: (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester(23412-99-9)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 23412-99-9(Hazardous Substances Data)
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23412-99-9 Usage
Uses
Used in Pharmaceutical Industry:(2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester is used as a potential pharmaceutical candidate for various applications due to its unique molecular structure and chirality, which may offer specific biological activities and interactions.
Used in Research and Development:
In the field of chemical research and development, (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester serves as a subject for further investigation to understand its properties, potential uses, and to explore its synthesis and modification for different applications.
Check Digit Verification of cas no
The CAS Registry Mumber 23412-99-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,4,1 and 2 respectively; the second part has 2 digits, 9 and 9 respectively.Calculate Digit Verification of CAS Registry Number 23412-99:
(7*2)+(6*3)+(5*4)+(4*1)+(3*2)+(2*9)+(1*9)=89
89 % 10 = 9
So 23412-99-9 is a valid CAS Registry Number.
23412-99-9Upstream product
23412-99-9Downstream Products
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(2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester
