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CS-W001157 4
Total: USD 88.00

Diethyl 4-nitrophthalate

  • CAS No. 2050-19-3

  • Cat. No. CS-0449715
  • Purity≥98%
  • MDL No.None

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

Diethyl 4-nitrophthalate|CS-0449715

Structure of 2050-19-3

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General Information

  • CAS No. 2050-19-3
  • Cat. No. CS-0449715
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₆
  • Molecular Weight 267.23
  • Synonym(s) DIETHY4-NITROPHTHALATE 5G
  • SMILES CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC

Synthesis

  • Route1
    • null|null
      64-17-5
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~99%
    • Diethyl 4-nitrophthalate|CS-0449715
      2050-19-3

    References

    • Guha, Samar Kumar; Obora, Yasushi; Ishihara, Daisuke; Matsubara, Hiroshi; Ryu, Ilhyong; Ishii, Yasutaka Advanced Synthesis and Catalysis, 2008 , vol. 350, # 9 p. 1323 - 1330
  • Route2
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~78%
    • Diethyl 4-nitrophthalate|CS-0449715
      2050-19-3

    References

    • Otsuka Pharmaceutical Co., Ltd.; Yanaihara Institute Inc. Patent: US6399318 B1, 2002 ;
  • Route3

    References

    • Nose; Suzuki Journal of Organic Chemistry, 2001 , vol. 66, # 12 p. 4356 - 4360

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   95.74
  • LogP   1.9482
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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