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CS-W001157 4
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Diethyl 2-(4-bromophenyl)malonate

  • CAS No. 93139-85-6

  • Cat. No. CS-0462125
  • Molecule weight315.16
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(4-bromophenyl)malonate|CS-0462125

Structure of 93139-85-6

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General Information

  • CAS No. 93139-85-6
  • Cat. No. CS-0462125
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅BrO₄
  • Molecular Weight 315.16
  • Synonym(s) Diethyl 4-bromophenylmalonate
  • SMILES CCOC(=O)C(C1=CC=C(C=C1)Br)C(=O)OCC

Synthesis

  • Route1

    References

    • Katz, Christopher E.; Aube, Jeffrey Journal of the American Chemical Society, 2003 , vol. 125, # 46 p. 13948 - 13949
  • Route2
    • In-stock
      4-Bromoiodobenzene|CS-W008977
      589-87-7
    • null|null
      105-53-3
    • ~41%
    • In-stock
      Diethyl 2-(4-bromophenyl)malonate|CS-0462125
      93139-85-6

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; SANOFI-AVENTIS; WATANABE, Kazutoshi; NAKAYAMA, Kazuki; SAKAI, Daiki Patent: WO2010/114179 A1, 2010 ; Location in patent: Page/Page column 37 ; WO 2010/114179 A1
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 15, # 4 p. 1586 - 1605

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.6589
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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