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CAS 885272-54-8

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

Description:
1,1-Dimethylethyl 8-chloro-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxylate, with the CAS number 885272-54-8, 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 chlorine atom in its structure suggests possible applications in medicinal chemistry, as halogenated compounds often exhibit enhanced biological activity. The dimethyl group attached to the carbon chain indicates steric hindrance, which can influence the compound's interaction with biological targets. Additionally, the hexahydro configuration implies that the compound is saturated, which may affect its stability and reactivity. Overall, this compound's unique structural features may render it of interest in various fields, including pharmaceuticals and organic synthesis, although specific applications would depend on further research into its biological activity and chemical properties.
Formula:C16H21ClN2O2
InChI:InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-13-5-4-10(17)8-11(13)12-9-18-7-6-14(12)19/h4-5,8,12,14,18H,6-7,9H2,1-3H3
InChI key:InChIKey=IZHFFHWVHONBQY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C3C1CCNC3)=CC(Cl)=CC2
Synonyms:
  • 1,1-Dimethylethyl 8-chloro-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxylate
  • 5H-Pyrido[4,3-b]indole-5-carboxylic acid, 8-chloro-1,2,3,4,4a,9b-hexahydro-, 1,1-dimethylethyl ester
  • 8-Chloro-2,3,4,4A,5,9B-Hexahydro-1H-Pyrido[4,3-B]Indole
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