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tert-Butyl 5-chloropyrazine-2-carboxylate

  • CAS No. 169335-50-6

  • Cat. No. CS-0101962
  • Molecule weight214.65
  • Purity≥98%
  • MDL No.MFCD18070852

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

tert-Butyl 5-chloropyrazine-2-carboxylate|CS-0101962

Structure of 169335-50-6

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General Information

  • CAS No. 169335-50-6
  • Cat. No. CS-0101962
  • Purity ≥98%
  • MDL No. MFCD18070852
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O₂
  • Molecular Weight 214.65
  • Synonym(s) 5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester
  • SMILES O=C(C1=NC=C(Cl)N=C1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Qian, Yimin; Corbett, Wendy L.; Berthel, Steven J.; Choi, Duk Soon; Dvorozniak, Mark T.; Geng, Wanping; Gillespie, Paul; Guertin, Kevin R.; Haynes, Nancy-Ellen; Kester, Robert F.; Mennona, Francis A.; Moore, David; Racha, Jagdish; Radinov, Roumen; Sarabu, Ramakanth; Scott, Nathan R.; Grimsby, Joseph; Mallalieu, Navita L. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 4 p. 414 - 418
  • Route2
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      tert-Butyl 5-chloropyrazine-2-carboxylate|CS-0101962
      169335-50-6

    References

    • Cynamon, Michael H.; Gimi, Rayomand; Gyenes, Ferenc; Sharpe, Cindy A.; Bergmann, Kathryn E.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 20 p. 3902 - 3907

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.0853
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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