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CAS 885272-52-6

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1,1-Dimethylethyl 8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate

Description:
1,1-Dimethylethyl 8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate, identified by its CAS number 885272-52-6, is a chemical compound characterized by its complex bicyclic structure, which includes a pyridoindole framework. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of a chloro substituent indicates that it may exhibit unique electronic and steric properties, influencing its biological activity and interactions. The dimethyl group attached to the carbon backbone suggests increased steric hindrance, which can affect the compound's conformation and stability. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory or neuroprotective effects. The specific stereochemistry and functional groups present in this molecule can significantly impact its biological activity, making it a candidate for further research in drug development and therapeutic applications.
Formula:C16H21ClN2O2
InChI:InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-7-6-14-12(9-19)11-8-10(17)4-5-13(11)18-14/h4-5,8,12,14,18H,6-7,9H2,1-3H3
InChI key:InChIKey=NUSSODRBWFEQDM-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC2C=3C(NC2CC1)=CC=C(Cl)C3
Synonyms:
  • 1,1-Dimethylethyl 8-chloro-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate
  • 2H-Pyrido[4,3-b]indole-2-carboxylic acid, 8-chloro-1,3,4,4a,5,9b-hexahydro-, 1,1-dimethylethyl ester
  • 8-Chloro-1,3,4,4A,5,9B-Hexahydro-Pyrido[4,3-B]Indole-2-Carboxylic Acid Tert-Butyl Ester
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