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CS-W001157 4
Total: USD 88.00

4-Propylanisole

  • CAS No. 104-45-0

  • Cat. No. CS-0152413
  • Purity≥98%
  • MDL No.MFCD00027121

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

4-Propylanisole|CS-0152413

Structure of 104-45-0

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General Information

  • CAS No. 104-45-0
  • Cat. No. CS-0152413
  • Purity ≥98%
  • MDL No. MFCD00027121
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O
  • Molecular Weight 150.22
  • Synonym(s) p-Propylanisole
  • SMILES CCCC1=CC=C(C=C1)OC

Description

1-Methoxy-4-propylbenzene is a bench-stable aromatic compound featuring a methoxy group and a propyl substituent in para orientation. This electron-donating combination enhances solubility in organic solvents and supports its use in synthetic intermediates for pharmaceuticals and agrochemicals.

Application

1-Methoxy-4-propylbenzene serves as a versatile aromatic building block in synthetic organic chemistry, enabling efficient access to functionalized arenes via electrophilic substitution and transition-metal-catalyzed coupling reactions. Its stable ether and alkyl side chain offer favorable handling and purification characteristics, while the ortho-directed reactivity facilitates selective derivatization. This compound functions effectively in the synthesis of pharmaceutical intermediates and specialty materials requiring controlled aromatic substitution patterns.

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 53, # 14 p. 3722 - 3726 Angew. Chem., , vol. 126, # 14 p. 3796 - 3800,5
  • Route2

    References

    • Chemical Communications, , vol. 49, # 10 p. 1005 - 1007
  • Route3
    • Trans-Anethole, ≥99%|CS-1268680
      4180-23-8
    • ~88%
    • In-stock
      4-Propylanisole|CS-0152413
      104-45-0

    References

    • Angewandte Chemie - International Edition, , vol. 52, # 39 p. 10241 - 10244 Angew. Chem., , p. 10431 - 10434

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H411
Precautionary Statements : P210-P273-P280-P370+P378-P391-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.6477
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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