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CS-W001157 4
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Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate

  • CAS No. 79607-23-1

  • Cat. No. CS-M1121
  • Purity≥97%
  • MDL No.None

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

Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-M1121

Structure of 79607-23-1

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General Information

  • CAS No. 79607-23-1
  • Cat. No. CS-M1121
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀BrNO₃
  • Molecular Weight 296.12
  • Synonym(s) 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
  • SMILES O=C1C(C(OCC)=O)=CNC2=CC=C(Br)C=C12

Synthesis

  • Route1
    • In-stock
      Diethyl 2-(ethoxymethylene)malonate|CS-0019402
      87-13-8
    • null|null
      106-40-1
    • ~93%
    • In-stock
      Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-M1121
      79607-23-1

    References

    • Dave, Chaitanya G.; Joshipura, Hardik M. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 3 p. 650 - 652
  • Route2
    • Diethyl 2-((4-bromophenylamino)methylene)malonate|CS-M0116
      101937-44-4
    • ~99%
    • In-stock
      Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-M1121
      79607-23-1

    References

    • GE HEALTHCARE LIMITED Patent: WO2009/40377 A2, 2009 ; Location in patent: Page/Page column 19 ;
  • Route3

    References

    • Reis, Raisa Da R.; Azevedo, Elisa C.; De Souza, Maria Cecilia B.V.; Ferreira, Vitor Francisco; Montenegro, Raquel C.; Araujo, Ana Jersia; Pessoa, Claudia; Costa-Lotufo, Leticia V.; De Moraes, Manoel O.; Filho, Jose D.B.M.; De Souza, Alessandra M.T.; De Carvalho, Natasha C.; Castro, Helena C.; Rodrigues, Carlos R.; Vasconcelos, Thatyana R.A. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 4 p. 1448 - 1452

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   2.4673
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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