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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 187278-01-9

  • Cat. No. CS-0108119
  • Purity95+%
  • MDL No.MFCD01111607

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

5-(((4-Bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0108119

Structure of 187278-01-9

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General Information

  • CAS No. 187278-01-9
  • Cat. No. CS-0108119
  • Purity 95+%
  • MDL No. MFCD01111607
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂BrNO₄
  • Molecular Weight 326.14
  • Synonym(s) 5-[(4-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
  • SMILES O=C(/C1=C/NC2=CC=C(Br)C=C2)OC(C)(C)OC1=O

Synthesis

  • Route1
    • null|null
      122-51-0
    • null|null
      106-40-1
    • ~92%
    • In-stock
      5-(((4-Bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0108119
      187278-01-9

    References

    • CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.; XI, Ning; LI, Zhuo; WANG, Tingjin; WU, Zuping; WEN, Qiuling Patent: WO2014/22128 A1, 2014 ; Location in patent: Paragraph 0144; 0145; 0153 ;
  • Route2
    • In-stock
      5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-M0456
      15568-85-1
    • null|null
      106-40-1
    • ~%
    • In-stock
      5-(((4-Bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0108119
      187278-01-9

    References

    • Wang, Min; Gao, Mingzhang; Miller, Kathy D.; Sledge, George W.; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 4 p. 1569 - 1574
  • Route3
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      106-40-1
    • null|null
      149-73-5
    • ~87%
    • In-stock
      5-(((4-Bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione|CS-0108119
      187278-01-9

    References

    • Beifuss, Uwe; Schniske, Ursula; Feder, Gerald Tetrahedron, 2001 , vol. 57, # 6 p. 1005 - 1013

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   64.63
  • LogP   2.581
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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