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Ethyl 3-(thiophen-2-yl)propiolate

  • CAS No. 61354-73-2

  • Cat. No. CS-0574673
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(thiophen-2-yl)propiolate|CS-0574673

Structure of 61354-73-2

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General Information

  • CAS No. 61354-73-2
  • Cat. No. CS-0574673
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂S
  • Molecular Weight 180.22
  • Synonym(s) 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester
  • SMILES CCOC(=O)C#CC1=CC=CS1

Synthesis

  • Route1

    References

    • Negishi, Ei-Ichi; Qian, Mingxing; Zeng, Fanxing; Anastasia, Luigi; Babinski, David Organic Letters, 2003 , vol. 5, # 10 p. 1597 - 1600
  • Route2

    References

    • Lecercle, Delphine; Mothes, Celine; Taran, Frederic Synthetic Communications, 2007 , vol. 37, # 8 p. 1301 - 1311
  • Route3

    References

    • Castagnolo, Daniele; Botta, Maurizio European Journal of Organic Chemistry, 2010 , # 17 p. 3224 - 3228

Safety Information

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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   26.3
  • LogP   1.6627
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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