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Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate

  • CAS No. 39086-05-0

  • Cat. No. CS-0049491
  • Molecule weight249.10
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate|CS-0049491

Structure of 39086-05-0

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General Information

  • CAS No. 39086-05-0
  • Cat. No. CS-0049491
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃BrO₃
  • Molecular Weight 249.10
  • Synonym(s) 3-bromo-4-ketocyclohexanecarboxylic acid ethyl ester
  • SMILES CCOC(=O)C1CCC(=O)C(Br)C1

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; GRAUERT, Matthias; BAKKER, Remko; BREITFELDER, Steffen; BUETTNER, Frank; EICKELMANN, Peter; FOX, Thomas; GRUNDL, Marc; LEHMANN-LINTZ, Thorsten; RIST, Wolfgang Patent: WO2011/138427 A2, 2011 ; Location in patent: Page/Page column 170 ; WO 2011/138427 A2
  • Route2
    • Ethyl 4-hydroxybenzoate Erlotinib Impurity|CS-0167068
      120-47-8
    • ~%
    • In-stock
      Ethyl 3-bromo-4-oxocyclohexane-1-carboxylate|CS-0049491
      39086-05-0

    References

    • Maillard; Delaunay; Langlois; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 5 p. 457 - 460
  • Route3

    References

    • Maillard; Delaunay; Langlois; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 5 p. 457 - 460

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   43.37
  • LogP   1.6822
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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