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CS-W001157 4
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1-Iodo-3-phenylpropane

  • CAS No. 4119-41-9

  • Cat. No. CS-0187748
  • Purity≥95%
  • MDL No.None

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

1-Iodo-3-phenylpropane|CS-0187748

Structure of 4119-41-9

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General Information

  • CAS No. 4119-41-9
  • Cat. No. CS-0187748
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁I
  • Molecular Weight 246.09
  • Synonym(s) 4-Iodo-n-propylbenzene
  • SMILES C1=CC=C(C=C1)CCCI

Description

1-Iodo-3-phenylpropane features a reactive iodide handle flanked by a phenyl group and a flexible aliphatic chain, enabling efficient coupling in cross-coupling reactions. This bench-stable reagent integrates seamlessly into synthetic workflows requiring selective C–C bond formation, particularly in the construction of aryl-functionalized alkyl scaffolds.

Application

1-Iodo-3-phenylpropane serves as a versatile alkylating agent in synthetic organic chemistry, enabling efficient C–C bond formation via nucleophilic substitution. Its iodide functionality offers high reactivity under mild conditions, while the phenyl group imparts structural rigidity and aromatic character suitable for constructing biaryl motifs. The compound exhibits excellent bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into multi-step syntheses of pharmaceutical intermediates and functional materials.

Synthesis

  • Route1

    References

    • Kamijo, Tetsuhide; Harada, Hiromu; Iizuka, Kinji Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 11 p. 4189 - 4192
  • Route2
    • null|null
      27126-20-1
    • ~57%
    • In-stock
      1-Iodo-3-phenylpropane|CS-0187748
      4119-41-9

    References

    • Maury, Julien; Feray, Laurence; Bertrand, Michele P.; Kapat, Ajoy; Renaud, Philippe Tetrahedron, 2012 , vol. 68, # 47 p. 9606 - 9611,6
  • Route3
    • (3-Chloropropyl)benzene Alverine Impurity|CS-0229491
      104-52-9
    • ~92%
    • In-stock
      1-Iodo-3-phenylpropane|CS-0187748
      4119-41-9

    References

    • Guisan-Ceinos, Manuel; Soler-Yanes, Rita; Collado-Sanz, Daniel; Phapale, Vilas B.; Bunuel, Elena; Cardenas, Diego J. Chemistry - A European Journal, 2013 , vol. 19, # 26 p. 8405 - 8410

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.0542
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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