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CS-W001157 4
Total: USD 88.00

Ethyl 2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

  • CAS No. 76981-88-9

  • Cat. No. CS-0071079
  • Purity≥97%
  • MDL No.MFCD00782616

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

Ethyl 2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|CS-0071079

Structure of 76981-88-9

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General Information

  • CAS No. 76981-88-9
  • Cat. No. CS-0071079
  • Purity ≥97%
  • MDL No. MFCD00782616
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈ClNO₃S
  • Molecular Weight 315.82
  • Synonym(s) ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
  • SMILES O=C(OCC)C1=C(NC(CCl)=O)SC2=C1CCCCC2

Synthesis

  • Route1

    References

    • Perrissin; Duc; Narcisse; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 5 p. 413 - 418
  • Route2
    • null|null
      105-56-6
    • ~%
    • Ethyl 2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|CS-0071079
      76981-88-9

    References

    • European Journal of Medicinal Chemistry, , vol. 15, # 5 p. 413 - 418
  • Route3
    • null|null
      502-42-1
    • ~%
    • Ethyl 2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|CS-0071079
      76981-88-9

    References

    • European Journal of Medicinal Chemistry, , vol. 15, # 5 p. 413 - 418

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   3.371
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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