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CAS 1310381-24-8

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rel-1,1-Dimethylethyl (3aR,5S,7aR)-hexahydro-5-(hydroxymethyl)pyrano[3,2-b]pyrrole-1(2H)-carboxylate

Description:
Rel-1,1-Dimethylethyl (3aR,5S,7aR)-hexahydro-5-(hydroxymethyl)pyrano[3,2-b]pyrrole-1(2H)-carboxylate, identified by its CAS number 1310381-24-8, is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrole and a pyran ring. This compound features a hydroxymethyl group, contributing to its potential reactivity and solubility in various solvents. The presence of the dimethylethyl group suggests steric hindrance, which may influence its interactions with other molecules. The stereochemistry indicated by the (3aR,5S,7aR) configuration implies specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and chemical properties. Such compounds are often of interest in medicinal chemistry and drug development due to their unique structural features that may interact with biological targets. Additionally, the carboxylate functional group may enhance its solubility in polar solvents and influence its acidity and reactivity in chemical reactions. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and pharmaceutical applications.
Formula:C13H23NO4
InChI:InChI=1/C13H23NO4/c1-13(2,3)18-12(16)14-7-6-11-10(14)5-4-9(8-15)17-11/h9-11,15H,4-8H2,1-3H3/t9-,10+,11+/s2
InChI key:InChIKey=DDODHLUDMIVDHJ-RNEOENCQNA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@]2([C@@](CC1)(O[C@H](CO)CC2)[H])[H]
Synonyms:
  • Pyrano[3,2-b]pyrrole-1(2H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3aR,5S,7aR)-rel-
  • rel-1,1-Dimethylethyl (3aR,5S,7aR)-hexahydro-5-(hydroxymethyl)pyrano[3,2-b]pyrrole-1(2H)-carboxylate
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