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CS-W001157 4
Total: USD 88.00

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid Roflumilast Impurity

  • CAS No. 162401-62-9

  • Cat. No. CS-0229138
  • Molecule weight258.22
  • Purity≥98%
  • MDL No.MFCD04621687

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

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid Roflumilast  Impurity|CS-0229138

Structure of 162401-62-9

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General Information

  • CAS No. 162401-62-9
  • Cat. No. CS-0229138
  • Purity ≥98%
  • MDL No. MFCD04621687
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂F₂O₄
  • Molecular Weight 258.22
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(OC(F)F)C(OCC2CC2)=C1

Synthesis

  • Route1
    • 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde Roflumilast  Impurity|CS-0229136
      151103-09-2
    • ~94%
    • 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid Roflumilast  Impurity|CS-0229138
      162401-62-9

    References

    • CHIESI FARMACEUTICI S.P.A.. Patent: US2008/15226 A1, 2008 ; Location in patent: Page/Page column 10 ;
  • Route2
    • 4-Difluoromethoxy-3-hydroxybenzaldehyde Roflumilast  Impurity|CS-0229135
      151103-08-1
    • ~%
    • 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid Roflumilast  Impurity|CS-0229138
      162401-62-9

    References

    • US2013/79313 A1, ;
  • Route3

    References

    • Synthesis (Germany), , vol. 44, # 23 art. no. SS-2012-H0689-OP, p. 3598 - 3602

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.775
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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