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CS-W001157 4
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3-Propylideneisobenzofuran-1(3H)-one

  • CAS No. 17369-59-4

  • Cat. No. CS-0431730
  • Purity96% mixture of cis and trans isomers
  • MDL No.MFCD00051813

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

3-Propylideneisobenzofuran-1(3H)-one|CS-0431730

Structure of 17369-59-4

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General Information

  • CAS No. 17369-59-4
  • Cat. No. CS-0431730
  • Purity 96% mixture of cis and trans isomers
  • MDL No. MFCD00051813
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) Propylidenephthalide
  • SMILES O=C1O/C(C2=C1C=CC=C2)=C\CC

Description

.

Synthesis

  • Route1
    • null|null
      106-31-0
    • null|null
      85-44-9
    • ~%
    • In-stock
      3-Propylideneisobenzofuran-1(3H)-one|CS-0431730
      17369-59-4

    References

    • Chemische Berichte, , vol. 29, p. 1436
  • Route2
    • 2-Propyl-1H-indene-1,3(2H)-dione|CS-0571281
      14570-43-5
    • ~58%
    • In-stock
      3-Propylideneisobenzofuran-1(3H)-one|CS-0431730
      17369-59-4

    References

    • Roscini, Claudio; Davies, David M. E.; Berry, Malcolm; Orr-Ewing, Andrew J.; Booker-Milburn, Kevin I. Angewandte Chemie - International Edition, 2008 , vol. 47, # 12 p. 2283 - 2286
  • Route3
    • null|null
      85-44-9
    • null|null
      5905-48-6
    • ~%
    • In-stock
      3-Propylideneisobenzofuran-1(3H)-one|CS-0431730
      17369-59-4

    References

    • Yakugaku Zasshi, , vol. 73, p. 336 Chem.Abstr., , p. 2661

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6079
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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