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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)(CAS: 87679-71-8)

(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)
CAS Number

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Other Suppliers for (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)

Basic Information

Molecular Formula
C22H30N2O5
Molecular Weight
420.51 g/mol

Physical Properties

Melting Point
132-134°C

Chemical Identifiers

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

Database References

MDL Number
MFCD09842610

FAQ

This compound exists as a crystalline solid with a molecular weight of approximately 448.44 g/mol. It has a pKa of around 7.5. The compound is slightly soluble in water and has good solubility in polar solvents such as methanol and DMSO. It exhibits moderate reactivity towards nucleophiles and has a high affinity for binding to specific receptors, making it interesting for potential pharmaceutical applications.
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%.
This compound is primarily used in the pharmaceutical industry for developing potential therapeutics targeting certain receptor sites. It may also find applications in the production of certain polymers and sensors due to its unique chemical structure and reactivity. In the semiconductor industry, it could be used as a starting material for synthesizing other compounds with specific electronic properties.
When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. All operations should be conducted in a well-ventilated area, preferably under a fume hood. Spills should be immediately cleaned up using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and emergency procedures. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials.

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

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