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CS-W001157 4
Total: USD 88.00

5-(((3-Methoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

  • CAS No. 213699-52-6

  • Cat. No. CS-0449559
  • Purity≥98%
  • MDL No.None

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

5-(((3-Methoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0449559

Structure of 213699-52-6

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General Information

  • CAS No. 213699-52-6
  • Cat. No. CS-0449559
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₅
  • Molecular Weight 277.27
  • Synonym(s) 5-[(3-MethoxyphenylaMino)Methylene]-2,2-diMethyl-1,3-dioxane-4,6-dione
  • SMILES CC1(C)OC(=O)C(=CNC2=CC=CC(=C2)OC)C(=O)O1

Synthesis

  • Route1
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      536-90-3
    • null|null
      122-51-0
    • ~94%
    • 5-(((3-Methoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0449559
      213699-52-6

    References

    • Nsumiwa, Samkele; Kuter, David; Wittlin, Sergio; Chibale, Kelly; Egan, Timothy J. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3738 - 3748
  • Route2

    References

    • Hill, Lawrence; Imam, S. Haider; McNab, Hamish; O'Neill, William J. Synlett, 2009 , # 11 p. 1847 - 1851
  • Route3
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      536-90-3
    • null|null
      149-73-5
    • ~92%
    • 5-(((3-Methoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0449559
      213699-52-6

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2003/99274 A1, 2003 ; Location in patent: Page 512-513 ; WO 03/099274 A1

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

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Computational Chemistry Data

  • TPSA   73.86
  • LogP   1.8271
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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