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CAS 100445-46-3

:

Methyl 1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate

Description:
Methyl 1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate is a bicyclic compound characterized by its unique structure, which includes a cycloheptane ring fused with a pyrrole moiety. This compound features a carboxylate ester functional group, which contributes to its reactivity and solubility properties. Typically, such compounds exhibit moderate polarity due to the presence of both hydrophobic hydrocarbon regions and polar functional groups. The hexahydro configuration indicates that the compound is saturated, which generally enhances stability and reduces reactivity compared to unsaturated analogs. Methyl esters like this one are often used in organic synthesis and can serve as intermediates in the production of pharmaceuticals or agrochemicals. Additionally, the presence of multiple chiral centers in the structure may lead to stereoisomerism, which can influence the compound's biological activity and interactions. Overall, this compound's characteristics make it of interest in various fields, including medicinal chemistry and materials science.
Formula:C11H15NO2
InChI:InChI=1S/C11H15NO2/c1-14-11(13)10-7-8-5-3-2-4-6-9(8)12-10/h7,12H,2-6H2,1H3
InChI key:InChIKey=XGBQRFPIRYAMJD-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC2=C(N1)CCCCC2
Synonyms:
  • Methyl 1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate
  • Cyclohepta[b]pyrrole-2-carboxylic acid, 1,4,5,6,7,8-hexahydro-, methyl ester
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