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CS-W001157 4
Total: USD 88.00

4-((1,3-dioxoisoindolin-2-yl)methyl)-2-fluorobenzonitrile

  • CAS No. 368426-72-6

  • Cat. No. CS-0001486
  • Purity≥98%
  • MDL No.MFCD11100397

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

4-((1,3-dioxoisoindolin-2-yl)methyl)-2-fluorobenzonitrile|CS-0001486

Structure of 368426-72-6

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General Information

  • CAS No. 368426-72-6
  • Cat. No. CS-0001486
  • Purity ≥98%
  • MDL No. MFCD11100397
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₉FN₂O₂
  • Molecular Weight 280.25
  • Synonym(s) 4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorobenzon itrile
  • SMILES N#CC(C(F)=C1)=CC=C1CN(C(C2=C3C=CC=C2)=O)C3=O

Synthesis

  • Route1
    • null|null
      136918-14-4
    • In-stock
      4-(Bromomethyl)-2-fluorobenzonitrile|CS-0001485
      222978-03-2
    • ~88%
    • 4-((1,3-dioxoisoindolin-2-yl)methyl)-2-fluorobenzonitrile|CS-0001486
      368426-72-6

    References

    • Cui, Jingrong Jean; Araldi, Gian-Luca; Reiner, John E.; Reddy, Komandla Malla; Kemp, Scott J.; Ho, Jonathan Z.; Siev, Daniel V.; Mamedova, Lala; Gibson, Tony S.; Gaudette, John A.; Minami, Nathaniel K.; Anderson, Susanne M.; Bradbury, Annette E.; Nolan, Thomas G.; Semple Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 20 p. 2925 - 2930
  • Route2

    References

    • Cui, Jingrong Jean; Araldi, Gian-Luca; Reiner, John E.; Reddy, Komandla Malla; Kemp, Scott J.; Ho, Jonathan Z.; Siev, Daniel V.; Mamedova, Lala; Gibson, Tony S.; Gaudette, John A.; Minami, Nathaniel K.; Anderson, Susanne M.; Bradbury, Annette E.; Nolan, Thomas G.; Semple Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 20 p. 2925 - 2930
  • Route3

    References

    • Cui, Jingrong Jean; Araldi, Gian-Luca; Reiner, John E.; Reddy, Komandla Malla; Kemp, Scott J.; Ho, Jonathan Z.; Siev, Daniel V.; Mamedova, Lala; Gibson, Tony S.; Gaudette, John A.; Minami, Nathaniel K.; Anderson, Susanne M.; Bradbury, Annette E.; Nolan, Thomas G.; Semple Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 20 p. 2925 - 2930

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.17
  • LogP   2.49358
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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