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CS-W001157 4
Total: USD 88.00

Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate

  • CAS No. 116047-26-8

  • Cat. No. CS-0101692
  • Molecule weight204.22
  • Purity≥97%
  • MDL No.MFCD16037868

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

Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate|CS-0101692

Structure of 116047-26-8

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General Information

  • CAS No. 116047-26-8
  • Cat. No. CS-0101692
  • Purity ≥97%
  • MDL No. MFCD16037868
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₃
  • Molecular Weight 204.22
  • Synonym(s) 1-tetralon-7-carboxylic acid methyl ester
  • SMILES O=C(OC)C1=CC=C(CCCC2=O)C2=C1

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid|CS-W007253
      89781-52-2
    • ~94%
    • In-stock
      Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate|CS-0101692
      116047-26-8

    References

    • APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. Patent: WO2005/12280 A1, 2005 ; Location in patent: Page/Page column 55 ; WO 2005/012280 A1
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • null|null
      144464-65-3
    • ~96%
    • In-stock
      Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate|CS-0101692
      116047-26-8

    References

    • Murphy, Paul V.; Hubbard, Rod E.; Manallack, David T.; Wills, Ruth E.; Montana, John G.; Taylor, Richard J. K. Bioorganic and Medicinal Chemistry, 1998 , vol. 6, # 12 p. 2421 - 2439
  • Route3
    • 8-(((Tert-butoxycarbonyl)amino)methyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid|CS-1023360
      165949-89-3
    • In-stock
      8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid|CS-W007253
      89781-52-2
    • ~%
    • In-stock
      Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate|CS-0101692
      116047-26-8

    References

    • The Dupont Merck Pharmaceutical Company Patent: US5879657 A1, 1999 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.9922
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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