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CS-W001157 4
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(9aR)-Octahydropyrazino[2,1-c][1,4]oxazine

  • CAS No. 508241-14-3

  • Cat. No. CS-0012687
  • Purity≥98%
  • MDL No.MFCD18830120

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

(9aR)-Octahydropyrazino[2,1-c][1,4]oxazine|CS-0012687

Structure of 508241-14-3

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General Information

  • CAS No. 508241-14-3
  • Cat. No. CS-0012687
  • Purity ≥98%
  • MDL No. MFCD18830120
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄N₂O
  • Molecular Weight 142.20
  • Synonym(s) Pyrazino[2,1-c][1,4]oxazine, octahydro-, (9aR)- (9CI)
  • SMILES [H][C@@]12COCCN1CCNC2

Description

This octahydro derivative features a rigid, saturated heterocyclic framework with defined stereochemistry at the 9a position, enabling precise molecular recognition. The fused oxazine and pyrazine rings provide enhanced conformational stability and favorable solubility in polar solvents. This scaffold serves as a key building block for complex alkaloid syntheses and functionalized ligands in medicinal chemistry.

Application

(9aR)-Octahydropyrazino[2,1-c][1,4]oxazine serves as a versatile bicyclic scaffold in medicinal chemistry, enabling efficient construction of nitrogen-rich heterocycles. Its rigid, chiral framework supports diverse functionalization and exhibits favorable stability for bench-scale synthesis. The compound functions as a key building block in the development of bioactive molecules, particularly those requiring defined stereochemistry and enhanced solubility.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   24.5
  • LogP   -0.7096
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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