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CS-W001157 4
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Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • CAS No. 5919-29-9

  • Cat. No. CS-0222432
  • Molecule weight267.34
  • Purity95+%
  • MDL No.None

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

Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|CS-0222432

Structure of 5919-29-9

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General Information

  • CAS No. 5919-29-9
  • Cat. No. CS-0222432
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₃S
  • Molecular Weight 267.34
  • Synonym(s) ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
  • SMILES CCOC(C1=C(SC2=C1CCCC2)NC(C)=O)=O

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2003/104219 A1, 2003 ; Location in patent: Page 10; 12 ; WO 03/104219 A1
  • Route2

    References

    • Aurelio, Luigi; Flynn, Bernard L.; Scammells, Peter J. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 13 p. 4886 - 4902
  • Route3

    References

    • US2005/176742 A1, ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   2.762
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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