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CS-W001157 4
Total: USD 88.00

7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

  • CAS No. 96334-46-2

  • Cat. No. CS-0367505
  • Molecule weight196.22
  • Purity95+%
  • MDL No.None

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

7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0367505

Structure of 96334-46-2

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General Information

  • CAS No. 96334-46-2
  • Cat. No. CS-0367505
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃S
  • Molecular Weight 196.22
  • Synonym(s) 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
  • SMILES C1CC2=C(C(=O)C1)SC=C2C(=O)O

Synthesis

  • Route1
    • null|null
      96334-45-1
    • ~45%
    • 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0367505
      96334-46-2

    References

    • Kharizomenova, I. A.; Kapustina, M. V.; Grinev, A. N.; Sheinker, Yu. N.; Alekseeva, L. M.; Kuleshova, E. F. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 12 p. 1339 - 1342 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , # 12 p. 1626 - 1629
  • Route2
    • Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|CS-0222432
      5919-29-9
    • ~%
    • 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0367505
      96334-46-2

    References

    • Kharizomenova, I. A.; Kapustina, M. V.; Grinev, A. N.; Sheinker, Yu. N.; Alekseeva, L. M.; Kuleshova, E. F. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 12 p. 1339 - 1342 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , # 12 p. 1626 - 1629
  • Route3
    • Ethyl 2-formamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0326802
      62821-69-6
    • ~%
    • 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0367505
      96334-46-2

    References

    • Kharizomenova, I. A.; Kapustina, M. V.; Grinev, A. N.; Sheinker, Yu. N.; Alekseeva, L. M.; Kuleshova, E. F. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 12 p. 1339 - 1342 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , # 12 p. 1626 - 1629

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9653
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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