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CS-W001157 4
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4-(4-Chlorobenzyl)phthalazin-1(2H)-one Azelastine impurity D CRS

  • CAS No. 53242-88-9

  • Cat. No. CS-0202228
  • Purity≥98%
  • MDL No.MFCD02168779

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

4-(4-Chlorobenzyl)phthalazin-1(2H)-one Azelastine impurity D CRS|CS-0202228

Structure of 53242-88-9

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General Information

  • CAS No. 53242-88-9
  • Cat. No. CS-0202228
  • Purity ≥98%
  • MDL No. MFCD02168779
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁ClN₂O
  • Molecular Weight 270.71
  • Synonym(s) 4-[(4-chlorophenyl)methyl]phthalazin-1(2H)-one
  • SMILES O=C1NN=C(CC2=CC=C(C=C2)Cl)C3=C1C=CC=C3

Synthesis

  • Route1
    • (E)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one Azelastine impurity E CRS|CS-0202229
      94801-28-2
    • ~90%
    • 4-(4-Chlorobenzyl)phthalazin-1(2H)-one Azelastine impurity D CRS|CS-0202228
      53242-88-9

    References

    • GLAXO GROUP LIMITED Patent: WO2007/122156 A1, 2007 ; Location in patent: Page/Page column 114-115 ; WO 2007/122156 A1
  • Route2
    • (Z)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one Azelastine Impurity|CS-0531662
      105279-16-1
    • ~77%
    • 4-(4-Chlorobenzyl)phthalazin-1(2H)-one Azelastine impurity D CRS|CS-0202228
      53242-88-9

    References

    • Derita, Marcos; Del Olmo, Esther; Barboza, Bianca; Garcia-Cadenas, Ana Esther; Lopez-Perez, Jose Luis; Andujar, Sebastian; Enriz, Daniel; Zacchino, Susana; Feliciano, Arturo San Molecules, 2013 , vol. 18, # 3 p. 3479 - 3501
  • Route3

    References

    • Havaldar, Freddy H.; Dabholkar, Bhushan V.; Mule, Ganesh B. Synthetic Communications, 2013 , vol. 43, # 8 p. 1127 - 1137

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   3.1673
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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