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2-[2-(Pyrazol-1-yl)ethyl]isoindole-1,3-dione

  • CAS No. 121751-71-1

  • Cat. No. CS-0210495
  • Molecule weight241.25
  • Purity≥98%
  • MDL No.MFCD18785315

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

2-[2-(Pyrazol-1-yl)ethyl]isoindole-1,3-dione|CS-0210495

Structure of 121751-71-1

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General Information

  • CAS No. 121751-71-1
  • Cat. No. CS-0210495
  • Purity ≥98%
  • MDL No. MFCD18785315
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁N₃O₂
  • Molecular Weight 241.25
  • Synonym(s) 2-(2-(1H-Pyrazol-1-yl)ethyl)isoindoline-1,3-dione
  • SMILES C1=CC=C2C(=C1)C(=O)N(CCN3C=CC=N3)C2=O

Synthesis

  • Route1

    References

    • APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. Patent: WO2005/26159 A1, 2005 ; Location in patent: Page/Page column 36 ;
  • Route2

    References

    • FUJISAWA PHARMACEUTICAL CO. LTD.; WAKUNAGA PHARMACEUTICAL CO. LTD. Patent: WO2004/101571 A1, 2004 ; Location in patent: Page 30 ;
  • Route3

    References

    • Moura, Carolina; Vitor, Rute F.; Maria, Leonor; Paulo, Antonio; Santos, Isabel; Santos, Isabel C. Dalton Transactions, 2006 , # 47 p. 5630 - 5640

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.2
  • LogP   1.1793
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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