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CS-W001157 4
Total: USD 88.00

1,3-Diethyl 2-(2-nitrophenyl)propanedioate

  • CAS No. 10565-14-7

  • Cat. No. CS-0216005
  • Molecule weight281.26
  • Purity95+%
  • MDL No.None

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

1,3-Diethyl 2-(2-nitrophenyl)propanedioate|CS-0216005

Structure of 10565-14-7

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General Information

  • CAS No. 10565-14-7
  • Cat. No. CS-0216005
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₆
  • Molecular Weight 281.26
  • Synonym(s) Diethyl (2-nitrophenyl)malonate
  • SMILES CCOC(=O)C(C1=CC=CC=C1[N+](=O)[O-])C(=O)OCC

Synthesis

  • Route1
    • null|null
      88-73-3
    • null|null
      105-53-3
    • ~%
    • 1,3-Diethyl 2-(2-nitrophenyl)propanedioate|CS-0216005
      10565-14-7

    References

    • THRESHOLD PHARMACEUTICALS, INC. Patent: WO2006/15191 A2, 2006 ; Location in patent: Page/Page column 79 ;
  • Route2
    • null|null
      577-19-5
    • null|null
      105-53-3
    • ~97%
    • 1,3-Diethyl 2-(2-nitrophenyl)propanedioate|CS-0216005
      10565-14-7

    References

    • Setsune, Jun-ichiro; Matsukawa, Kimihiro; Wakemoto, Hirofumi; Kitao, Teijiro Chemistry Letters, 1981 , p. 367 - 370

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.74
  • LogP   1.8046
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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