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CS-W001157 4
Total: USD 88.00

Spiro[chromane-2,4'-piperidin]-4-one

  • CAS No. 136081-84-0

  • Cat. No. CS-0445276
  • Molecule weight217.26
  • Purity≥98%
  • MDL No.None

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

Spiro[chromane-2,4'-piperidin]-4-one|CS-0445276

Structure of 136081-84-0

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General Information

  • CAS No. 136081-84-0
  • Cat. No. CS-0445276
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₂
  • Molecular Weight 217.26
  • Synonym(s) spiro[chromene-2,4'-piperidin]-4(3H)-one
  • SMILES C1=CC=C2C(=C1)C(=O)CC3(CCNCC3)O2

Synthesis

  • Route1
    • Benzyl 4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate|CS-0674219
      873779-32-9
    • ~10%
    • Spiro[chromane-2,4'-piperidin]-4-one|CS-0445276
      136081-84-0

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; MILLER, Mark, Thomas; KALLEL, Edward, Adam; BEAR, Brian, Richard; ARUMUGAM, Vijayalaksmi; DENINNO, Michael, Paul; ZHOU, Jinglan; UY, Johnny; FRIEMAN, Bryan, A. Patent: WO2012/112743 A1, 2012 ; Location in patent: Page/Page column 70 ;
  • Route2

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/65508 A1, 2008 ; Location in patent: Page/Page column 21 ;
  • Route3
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • ~%
    • Spiro[chromane-2,4'-piperidin]-4-one|CS-0445276
      136081-84-0

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; MILLER, Mark, Thomas; KALLEL, Edward, Adam; BEAR, Brian, Richard; ARUMUGAM, Vijayalaksmi; DENINNO, Michael, Paul; ZHOU, Jinglan; UY, Johnny; FRIEMAN, Bryan, A. Patent: WO2012/112743 A1, 2012 ;

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   38.33
  • LogP   1.774
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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