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Ethyl (E)-3-(2,3-dihydrobenzofuran-5-yl)-2-propenoate

  • CAS No. 196597-65-6

  • Cat. No. CS-M2668
  • Molecule weight218.25
  • Purity≥98%
  • MDL No.MFCD09955079

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

Ethyl (E)-3-(2,3-dihydrobenzofuran-5-yl)-2-propenoate|CS-M2668

Structure of 196597-65-6

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General Information

  • CAS No. 196597-65-6
  • Cat. No. CS-M2668
  • Purity ≥98%
  • MDL No. MFCD09955079
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₃
  • Molecular Weight 218.25
  • Synonym(s) Ethyl 3-(2,3-Dihydrobenzofuran-5-yl)propenoate
  • SMILES O=C(OCC)/C=C/C1=CC=C(OCC2)C2=C1

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: US6348485 B1, 2002 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 45, # 19 p. 4222 - 4239
  • Route3

    References

    • Coleman, Paul J.; Hutchinson, John H.; Hunt, Cecilia A.; Lu, Ping; Delaporte, Enock; Rushmore, Tom Tetrahedron Letters, 2000 , vol. 41, # 31 p. 5803 - 5806

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.1978
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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