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Diethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate

  • CAS No. 911434-04-3

  • Cat. No. CS-0541094
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate|CS-0541094

Structure of 911434-04-3

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General Information

  • CAS No. 911434-04-3
  • Cat. No. CS-0541094
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃BrN₂O₆
  • Molecular Weight 361.15
  • Synonym(s) Propanedioic acid, 2-(5-bromo-3-nitro-2-pyridinyl)-, 1,3-diethyl ester
  • SMILES CCOC(=O)C(C1=C(C=C(C=N1)Br)[N+](=O)[O-])C(=O)OCC

Synthesis

  • Route1

    References

    • Duffey, Matthew O.; Vos, Tricia J.; Adams, Ruth; Alley, Jennifer; Anthony, Justin; Barrett, Cynthia; Bharathan, Indu; Bowman, Douglas; Bump, Nancy J.; Chau, Ryan; Cullis, Courtney; Driscoll, Denise L.; Elder, Amy; Forsyth, Nancy; Frazer, Jonathan; Guo, Jianping; Guo, Luyi; Hyer, Marc L.; Janowick, David; Kulkarni, Bheemashankar; Lai, Su-Jen; Lasky, Kerri; Li, Gang; Li, Jing; Liao, Debra; Little, Jeremy; Peng, Bo; Qian, Mark G.; Reynolds, Dominic J.; Rezaei, Mansoureh; Scott, Margaret Porter; Sells, Todd B.; Shinde, Vaishali; Shi, Qiuju Judy; Sintchak, Michael D.; Soucy, Francois; Sprott, Kevin T.; Stroud, Stephen G.; Nestor, Michelle; Visiers, Irache; Weatherhead, Gabriel; Ye, Yingchun; Damore, Natalie Journal of Medicinal Chemistry, 2012 , vol. 55, # 1 p. 197 - 208

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   108.63
  • LogP   1.9621
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   6

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