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CS-W001157 4
Total: USD 88.00

Ethyl 2-(3-chlorobenzyl)-3-oxobutanoate

  • CAS No. 30292-75-2

  • Cat. No. CS-0333263
  • Purity95+%
  • MDL No.None

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

Ethyl 2-(3-chlorobenzyl)-3-oxobutanoate|CS-0333263

Structure of 30292-75-2

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General Information

  • CAS No. 30292-75-2
  • Cat. No. CS-0333263
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClO₃
  • Molecular Weight 254.71
  • Synonym(s) Oxamidsaeure-N-essigsaeure-diaethylester
  • SMILES CCOC(=O)C(CC1=CC(=CC=C1)Cl)C(=O)C

Synthesis

  • Route1
    • null|null
      15725-23-2
    • ~87%
    • Ethyl 2-(3-chlorobenzyl)-3-oxobutanoate|CS-0333263
      30292-75-2

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; BENGTSSON, Boel, Ase; BLACKABY, Wesley; CUMMING, John; FAULL, Alan, Wellington; LARSSON, Joakim; NASH, Ian, Alun; OLDHAM, Keith; PAPE, Andrew Patent: WO2011/114148 A1, 2011 ; Location in patent: Page/Page column 86-87 ; WO 2011/114148 A1
  • Route2

    References

    • Guezel, Oezlen; Innocenti, Alessio; Scozzafava, Andrea; Salman, Aydin; Parkkila, Seppo; Hilvo, Mika; Supuran, Claudiu T. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 20 p. 9113 - 9120
  • Route3

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; BENGTSSON, Boel, Ase; BLACKABY, Wesley; CUMMING, John; FAULL, Alan, Wellington; LARSSON, Joakim; NASH, Ian, Alun; OLDHAM, Keith; PAPE, Andrew Patent: WO2011/114148 A1, 2011 ; WO 2011/114148 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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.6508
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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