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CS-W001157 4
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Methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate

  • CAS No. 39757-34-1

  • Cat. No. CS-0113092
  • Purity95+%
  • MDL No.MFCD04967387

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

Methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate|CS-0113092

Structure of 39757-34-1

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General Information

  • CAS No. 39757-34-1
  • Cat. No. CS-0113092
  • Purity 95+%
  • MDL No. MFCD04967387
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉FO₄
  • Molecular Weight 224.19
  • Synonym(s) 4-(4-Fluorophenyl)-2,4-dioxo-butyric acid methyl ester
  • SMILES O=C(OC)C(CC(C1=CC=C(F)C=C1)=O)=O

Synthesis

  • Route1

    References

    • Penning, Thomas D.; Talley, John J.; Bertenshaw, Stephen R.; Carter, Jeffery S.; Collins, Paul W.; Docter, Stephen; Graneto, Matthew J.; Lee, Len F.; Malecha, James W.; Miyashiro, Julie M.; Rogers, Roland S.; Rogier; Yu, Stella S.; Anderson, Gary D.; Burton, Earl G.; Cogburn, J. Nita; Gregory, Susan A.; Koboldt, Carol M.; Perkins, William E.; Seibert, Karen; Veenhuizen, Amy W.; Zhang, Yan Y.; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 9 p. 1347 - 1365

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   1.1406
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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