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2-((3-Chloropyrazin-2-yl)methyl)isoindoline-1,3-dione

  • CAS No. 867165-55-7

  • Cat. No. CS-0549592
  • Purity≥98%
  • MDL No.None

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

2-((3-Chloropyrazin-2-yl)methyl)isoindoline-1,3-dione|CS-0549592

Structure of 867165-55-7

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General Information

  • CAS No. 867165-55-7
  • Cat. No. CS-0549592
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈ClN₃O₂
  • Molecular Weight 273.67
  • Synonym(s) None
  • SMILES O=C1N(CC2=NC=CN=C2Cl)C(C3=C1C=CC=C3)=O

Synthesis

  • Route1
    • null|null
      136918-14-4
    • In-stock
      (3-Chloropyrazin-2-yl)methanol|CS-0053374
      89283-32-9
    • ~54%
    • 2-((3-Chloropyrazin-2-yl)methyl)isoindoline-1,3-dione|CS-0549592
      867165-55-7

    References

    • UNIVERSITY OF WASHINGTON; VAN VOORHIS, Wesley, C.; HOL, Wilhelmus, G.J.; LARSON, Eric, T.; MALY, Dustin, James; MERRITT, Ethan; OJO, Kayode, K. Patent: WO2011/94628 A1, 2011 ; Location in patent: Page/Page column 105 ; WO 2011/094628 A1
  • Route2
    • null|null
      1074-82-4
    • null|null
      45660-95-5
    • ~%
    • 2-((3-Chloropyrazin-2-yl)methyl)isoindoline-1,3-dione|CS-0549592
      867165-55-7

    References

    • Mulvihill, Kristen Michelle; Castelhano, Arlindo L. Patent: US2007/129547 A1, 2007 ; Location in patent: Page/Page column 4 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.16
  • LogP   1.9262
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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