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3,5,6-Trimethylpyrazine-2-carboxylic acid

  • CAS No. 186534-01-0

  • Cat. No. CS-0343036
  • Purity≥98%
  • MDL No.None

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

3,5,6-Trimethylpyrazine-2-carboxylic acid|CS-0343036

Structure of 186534-01-0

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General Information

  • CAS No. 186534-01-0
  • Cat. No. CS-0343036
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) trimethylpyrazine-2-carboxylic acid
  • SMILES O=C(C1=NC(C)=C(C)N=C1C)O

Synthesis

  • Route1

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; KAWANISHI, Eiji; HONGU, Mitsuya; TANAKA, Yoshihito Patent: WO2011/105628 A1, 2011 ; Location in patent: Page/Page column 78 ; WO 2011/105628 A1
  • Route2

    References

    • Li, Zhenyu; Yu, Fang; Zhan, Peng; Shen, Yuemao; Liu, Xinyong; Cui, Lei; Wang, Shouxun Medicinal Chemistry, 2012 , vol. 8, # 5 p. 928 - 933,6
  • Route3

    References

    • Chen, Hongfei; Li, Guoning; Zhan, Peng; Li, Hong; Wang, Shouxun; Liu, Xinyong MedChemComm, 2014 , vol. 5, # 6 p. 711 - 718

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

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.10006
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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