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CS-W001157 4
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1-Benzyl-3,5-dichloropyrazin-2(1H)-one

  • CAS No. 87486-35-9

  • Cat. No. CS-0363820
  • Purity≥97%
  • MDL No.None

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

1-Benzyl-3,5-dichloropyrazin-2(1H)-one|CS-0363820

Structure of 87486-35-9

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General Information

  • CAS No. 87486-35-9
  • Cat. No. CS-0363820
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈Cl₂N₂O
  • Molecular Weight 255.10
  • Synonym(s) 1-Benzyl-3,5-dichloro-1H-pyrazin-2-one
  • SMILES C1=CC=C(C=C1)CN2C=C(Cl)N=C(C2=O)Cl

Synthesis

  • Route1
    • null|null
      79-37-8
    • N-Benzylaminoacetonitrile hydrochloride|CS-0207594
      63086-36-2
    • ~84%
    • 1-Benzyl-3,5-dichloropyrazin-2(1H)-one|CS-0363820
      87486-35-9

    References

    • Harker, Wesley R.R.; Delaney, Patrick M.; Simms, Michael; Tozer, Matthew J.; Harrity, Joseph P.A. Tetrahedron, 2013 , vol. 69, # 5 p. 1546 - 1552
  • Route2

    References

    • BAYER SCHERING PHARMA ATIENGESELLSCHAFT Patent: US2010/298293 A1, 2010 ; Location in patent: Page/Page column 46 ; US 20100298293 A1
  • Route3
    • null|null
      100-46-9
    • ~%
    • 1-Benzyl-3,5-dichloropyrazin-2(1H)-one|CS-0363820
      87486-35-9

    References

    • De Borggraeve, Wim M.; Verbist, Bie M.P.; Rombouts, Frederik J.R.; Pawar, Vijaykumar G.; Smets, Wim J.; Kamoune, Laila; Alen, Jo; Van Der Eycken, Erik V.; Compernolle, Frans; Hoornaert, Georges J. Tetrahedron, 2004 , vol. 60, # 50 p. 11597 - 11612

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   34.89
  • LogP   2.5984
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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