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CS-W001157 4
Total: USD 88.00

Rosuvastatin impurity 50

  • CAS No. 289042-12-2

  • Cat. No. CS-0154317
  • Purity≥97%
  • MDL No.MFCD08458343

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

Rosuvastatin impurity 50|CS-0154317

Structure of 289042-12-2

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General Information

  • CAS No. 289042-12-2
  • Cat. No. CS-0154317
  • Purity ≥97%
  • MDL No. MFCD08458343
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₄₀FN₃O₆S
  • Molecular Weight 577.71
  • Synonym(s) None
  • SMILES C(=C/[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)\C=2C(=NC(N(S(C)(=O)=O)C)=NC2C(C)C)C3=CC=C(F)C=C3

Description

This tert-butyl ester features a sterically hindered dioxane core paired with a fluorinated aryl-pyrimidine pharmacophore, enabling efficient incorporation into complex heterocyclic scaffolds under standard conditions.

Application

tert-Butyl 2-((4R,6S)-6-((E)-2-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate serves as a versatile synthetic intermediate for constructing complex pyrimidine-based scaffolds. Its tert-butyl ester functionality enables stable handling and convenient deprotection under mild acidic conditions. The molecule features orthogonal functional groups—vinyl, sulfonamide, and dioxane—that facilitate downstream coupling reactions and heterocycle elaboration in medicinal chemistry campaigns.

Synthesis

  • Route1
    • null|null
      289042-10-0
    • tert-Butyl 2-((4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate Rosuvastatin Impurity|CS-0167482
      124752-23-4
    • ~68%
    • In-stock
      Rosuvastatin impurity 50|CS-0154317
      289042-12-2

    References

    • US2004/49036 A1, ; Page 3 ;
  • Route2
    • null|null
      1054627-26-7
    • N-(4-(4-Fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide Rosuvastatin Impurity|CS-0229528
      147118-37-4
    • ~62%
    • In-stock
      Rosuvastatin impurity 50|CS-0154317
      289042-12-2

    References

    • WO2012/98048 A1, ; Page/Page column 18-19 ;
  • Route3
    • null|null
      894787-92-9
    • null|null
      153968-96-8
    • ~%
    • In-stock
      Rosuvastatin impurity 50|CS-0154317
      289042-12-2

    References

    • US2008/207903 A1, ; Page/Page column 16 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   107.92
  • LogP   5.4571
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   8

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