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CS-W001157 4
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(3-Chloroprop-1-en-1-yl)benzene

  • CAS No. 2687-12-9

  • Cat. No. CS-W014342
  • Purity≥95%
  • MDL No.None

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

(3-Chloroprop-1-en-1-yl)benzene|CS-W014342

Structure of 2687-12-9

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General Information

  • CAS No. 2687-12-9
  • Cat. No. CS-W014342
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉Cl
  • Molecular Weight 152.62
  • Synonym(s) Cinnamyl chloride
  • SMILES ClC/C=C/C1=CC=CC=C1

Description

Cinnamyl chloride reacts regioselectively with aryl and alkenylgold(I) phosphanes in the presence of palladium catalyst in THF to afford the -substitution product.Cinnamyl chloride was used in the enantioselective total synthesis of helioporins C and E, bioactive marine diterpenes.

Synthesis

  • Route1

    References

    • Organic Letters, , vol. 5, # 8 p. 1167 - 1169
  • Route2
    • α-(2-Chloroethyl)benzenemethanol Fluoxetine  Impurity|CS-0229005
      18776-12-0
    • ~%
    • In-stock
      (3-Chloroprop-1-en-1-yl)benzene|CS-W014342
      2687-12-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 1 p. 176 - 181
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 131, # 39 p. 13930 - 13931

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS06,GHS08
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314-H330-H334
Precautionary Statements : P260-P280-P284

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.9386
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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