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CS-W001157 4
Total: USD 88.00

(3R,5S,8aR)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile

  • CAS No. 88056-92-2

  • Cat. No. CS-W010401
  • Purity≥97%
  • MDL No.MFCD00142338

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

(3R,5S,8aR)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile|CS-W010401

Structure of 88056-92-2

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General Information

  • CAS No. 88056-92-2
  • Cat. No. CS-W010401
  • Purity ≥97%
  • MDL No. MFCD00142338
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O
  • Molecular Weight 228.30
  • Synonym(s) (-)-5-Cyano-3-phenyl-2,3,5,6,7,8-hexahydro-5H-oxazolo[3,2-a]pyridine
  • SMILES N#C[C@@H]1CCC[C@]2([H])N1[C@H](C3=CC=CC=C3)CO2

Synthesis

  • Route1
    • null|null
      2549-14-6
    • null|null
      151-50-8
    • null|null
      111-30-8
    • ~61%
    • (3R,5S,8aR)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile|CS-W010401
      88056-92-2

    References

    • GLAXO GROUP LIMITED Patent: WO2009/34133 A1, 2009 ; Location in patent: Page/Page column 12-13 ; WO 2009/034133 A1
  • Route2

    References

    • Guerrier; Royer; Grierson; Husson Journal of the American Chemical Society, 1983 , vol. 105, # 26 p. 7754 - 7755
  • Route3
    • In-stock
      (R)-(-)-2-Phenylglycinol|CS-W002038
      56613-80-0
    • null|null
      151-50-8
    • null|null
      111-30-8
    • ~%
    • (3R,5S,8aR)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile|CS-W010401
      88056-92-2

    References

    • Royer, Jacques; Husson, Henri-Phillipe Heterocycles, 1993 , vol. 36, # 7 p. 1493 - 1496

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.26
  • LogP   2.46208
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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