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CS-W001157 4
Total: USD 88.00

Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

  • CAS No. 96334-44-0

  • Cat. No. CS-0100217
  • Molecule weight239.29
  • Purity≥98%
  • MDL No.MFCD00459036

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

Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0100217

Structure of 96334-44-0

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General Information

  • CAS No. 96334-44-0
  • Cat. No. CS-0100217
  • Purity ≥98%
  • MDL No. MFCD00459036
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃S
  • Molecular Weight 239.29
  • Synonym(s) Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  • SMILES O=C(OCC)C1=C(SC2=C1CCCC2=O)N

Synthesis

  • Route1
    • Ethyl 2-acetamido-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0313808
      91421-24-8
    • ~85%
    • In-stock
      Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0100217
      96334-44-0

    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
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • null|null
      105-56-6
    • ~83%
    • In-stock
      Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0100217
      96334-44-0

    References

    • Mohareb, Rafat M.; Sherif, Sherif M.; Moustafa, Hosam El-Dean Phosphorus, Sulfur and Silicon and the Related Elements, 2009 , vol. 184, # 8 p. 2078 - 2096
  • Route3
    • null|null
      96334-42-8
    • ~%
    • In-stock
      Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0100217
      96334-44-0

    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 :
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   69.39
  • LogP   2.026
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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