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Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

  • CAS No. 6742-26-3

  • Cat. No. CS-0151635
  • Molecule weight218.25
  • Purity≥95%
  • MDL No.MFCD00973033

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

Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate|CS-0151635

Structure of 6742-26-3

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General Information

  • CAS No. 6742-26-3
  • Cat. No. CS-0151635
  • Purity ≥95%
  • MDL No. MFCD00973033
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₃
  • Molecular Weight 218.25
  • Synonym(s) 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-, ethyl ester
  • SMILES CCOC(=O)C1CCC2=CC=CC=C2C1=O

Synthesis

  • Route1
    • In-stock
      3,4-Dihydronaphthalen-1-one|CS-0226151
      529-34-0
    • null|null
      105-58-8
    • ~98%
    • In-stock
      Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate|CS-0151635
      6742-26-3

    References

    • Jones, Simon; Zhao, Peichao Tetrahedron Asymmetry, 2014 , vol. 25, # 3 p. 238 - 244
  • Route2
    • null|null
      105-58-8
    • ~63%
    • In-stock
      Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate|CS-0151635
      6742-26-3

    References

    • INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) Patent: EP1683790 A1, 2006 ; Location in patent: Page/Page column 7; 12; 13 ; EP 1683790 A1
  • Route3

    References

    • Ramesh, D.; Sami, M. D. Izhar; Ray, J. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1989 , vol. 28, # 1-11 p. 76 - 77

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-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.9948
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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