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CS-W001157 4
Total: USD 88.00

tert-Butyl (3aS,5R,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate

  • CAS No. 2007919-65-3

  • Cat. No. CS-W000102
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD30478085

*For research and further manufacturing use only, not for direct human use.

tert-Butyl (3aS,5R,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate|CS-W000102

Structure of 2007919-65-3

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General Information

  • CAS No. 2007919-65-3
  • Cat. No. CS-W000102
  • Purity ≥95%
  • MDL No. MFCD30478085
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₃NO₃
  • Molecular Weight None
  • Synonym(s) (3aS,5R,7aR)-tert-butyl 5-hydroxyhexahydro-1H-isoindole-2(3H)-carboxylate
  • SMILES [H][C@@]12[C@@](CN(C(OC(C)(C)C)=O)C2)([H])CC[C@@H](O)C1

Description

tert-Butyl (3aS,5R,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate features a stereodefined hydroxyl group at the 5-position of a fully saturated isoindoline core. This bench-stable derivative enables direct incorporation into complex alkaloid syntheses and serves as a key intermediate in asymmetric medicinal chemistry workflows.

Application

tert-Butyl (3aS,5R,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate serves as a versatile chiral building block for the synthesis of complex nitrogen-containing heterocycles. The protected amine and tertiary alcohol functionalities enable selective transformations under standard conditions, with excellent stability during purification and handling. Its defined stereochemistry facilitates predictable reactivity in coupling reactions and ring-forming processes relevant to medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.0143
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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