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CS-W001157 4
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Tert-butyl 4-cyano-4-(2-methoxyphenyl)piperidine-1-carboxylate

  • CAS No. 553631-31-5

  • Cat. No. CS-0510627
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-cyano-4-(2-methoxyphenyl)piperidine-1-carboxylate|CS-0510627

Structure of 553631-31-5

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General Information

  • CAS No. 553631-31-5
  • Cat. No. CS-0510627
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₄N₂O₃
  • Molecular Weight 316.39
  • Synonym(s) 1-N-Boc-4-cyano-4-(2-methoxyphenyl)piperidine
  • SMILES COC1=CC=CC=C1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1

Synthesis

  • Route1
    • 2-(2-Methoxyphenyl)acetonitrile|CS-0065824
      7035-03-2
    • null|null
      118753-70-1
    • ~%
    • Tert-butyl 4-cyano-4-(2-methoxyphenyl)piperidine-1-carboxylate|CS-0510627
      553631-31-5

    References

    • Patane, Michael A.; DiPardo, Robert M.; Newton, Randall C.; Price, RoseAnn P.; Broten, Theodore P.; Chang, Raymond S.L.; Ransom, Richard W.; Di Salvo, Jerry; Nagarathnam, Dhanapalan; Forray, Carlos; Gluchowski, Charles; Bock, Mark G. Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 15 p. 1621 - 1624

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   62.56
  • LogP   3.48748
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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