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CS-W001157 4
Total: USD 88.00

((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester Atorvastatin calcium Impurity

  • CAS No. 125971-94-0

  • Cat. No. CS-0228750
  • Molecule weight269.34
  • Purity≥98%
  • MDL No.MFCD03093958

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

((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester Atorvastatin calcium Impurity|CS-0228750

Structure of 125971-94-0

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General Information

  • CAS No. 125971-94-0
  • Cat. No. CS-0228750
  • Purity ≥98%
  • MDL No. MFCD03093958
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₃NO₄
  • Molecular Weight 269.34
  • Synonym(s) tert-Butyl(3R,5R)-6-cyano-3,5-O-iso-propylidene-3,5-dihydroxyhexanoate
  • SMILES O=C(OC(C)(C)C)C[C@@H]1OC(C)(C)O[C@H](CC#N)C1

Synthesis

  • Route1
    • null|null
      125971-93-9
    • null|null
      77-76-9
    • ~82%
    • ((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester Atorvastatin calcium Impurity|CS-0228750
      125971-94-0

    References

    • Kaneka Corporation Patent: US6344569 B1, 2002 ; Location in patent: Page column 13 ;
  • Route2
    • null|null
      791115-48-5
    • null|null
      75-65-0
    • ~%
    • ((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester Atorvastatin calcium Impurity|CS-0228750
      125971-94-0

    References

    • WO2004/96788 A1, ; Page 15 ;
  • Route3
    • null|null
      125971-93-9
    • ~%
    • ((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester Atorvastatin calcium Impurity|CS-0228750
      125971-94-0

    References

    • WO2005/90301 A1, ; Page/Page column 13 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   68.55
  • LogP   2.54208
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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