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CS-W001157 4
Total: USD 88.00

Ketoconazole intermediate

  • CAS No. 61397-58-8

  • Cat. No. CS-0141721
  • Molecule weight329.18
  • Purity≥98%
  • MDL No.None

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

Ketoconazole intermediate|CS-0141721

Structure of 61397-58-8

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General Information

  • CAS No. 61397-58-8
  • Cat. No. CS-0141721
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄Cl₂N₂O₃
  • Molecular Weight 329.18
  • Synonym(s) [(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
  • SMILES OC[C@@H]1O[C@@](CN2C=CN=C2)(C3=CC=C(Cl)C=C3Cl)OC1

Synthesis

  • Route1
    • null|null
      70894-66-5
    • ~96%
    • Ketoconazole intermediate|CS-0141721
      61397-58-8

    References

    • Baji; Kimny, Tan; Gasquez; Flammang; Compagnon; Delcourt; Mathieu; Viossat; Morgant; Nguyen-Huy European Journal of Medicinal Chemistry, 1997 , vol. 32, # 7-8 p. 637 - 650
  • Route2
    • null|null
      83086-42-4
    • ~96%
    • Ketoconazole intermediate|CS-0141721
      61397-58-8

    References

    • Chapman, David R.; Bauer, Ludwig Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 7 p. 2053 - 2061
  • Route3
    • (2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol|CS-0670128
      68751-57-5
    • ~%
    • Ketoconazole intermediate|CS-0141721
      61397-58-8

    References

    • European Journal of Medicinal Chemistry, , vol. 32, # 7-8 p. 637 - 650

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   56.51
  • LogP   2.4506
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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