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CS-W001157 4
Total: USD 88.00

Dehydroaripiprazole

  • CAS No. 129722-25-4

  • Cat. No. CS-0019905
  • Purity≥98%
  • MDL No.MFCD00892073

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

Dehydroaripiprazole|CS-0019905

Structure of 129722-25-4

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General Information

  • CAS No. 129722-25-4
  • Cat. No. CS-0019905
  • Purity ≥98%
  • MDL No. MFCD00892073
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₅Cl₂N₃O₂
  • Molecular Weight 446.37
  • Synonym(s) OPC-14857; DM-14857
  • SMILES O=C1NC2=C(C=CC(OCCCCN3CCN(C4=CC=CC(Cl)=C4Cl)CC3)=C2)C=C1

Description

Suzuki Cross-Coupling with MIDA Boronates

Application

Dehydroaripiprazole serves as a key synthetic intermediate in the development of antipsychotic agents, enabling efficient access to aripiprazole and related dopamine D2 receptor modulators. Its stable, electron-deficient aromatic core facilitates direct functionalization and coupling reactions, offering high compatibility with standard pharmaceutical synthesis workflows. The compound exhibits excellent bench stability and clean purification profiles, making it well-suited for scalable production and process optimization in industrial R&D settings.

Synthesis

  • Route1

    References

    • Alkermes, Inc. Patent: US2011/275803 A1, 2011 ; Location in patent: Page/Page column 60-61 ;
  • Route2

    References

    • Oshiro, Yasuo; Sato, Seiji; Kurahashi, Nobuyuki; Tanaka, Tatsuyoshi; Kikuchi, Tetsuro; Tottori, Katsura; Uwahodo, Yasufumi; Nishi, Takao Journal of Medicinal Chemistry, 1998 , vol. 41, # 5 p. 658 - 667
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 5 p. 658 - 667

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   48.57
  • LogP   4.8161
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   7

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