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CS-W001157 4
Total: USD 88.00

1-Methyl-3-phenoxybenzene

  • CAS No. 3586-14-9

  • Cat. No. CS-0153214
  • Purity≥98%
  • MDL No.MFCD00008531

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

1-Methyl-3-phenoxybenzene|CS-0153214

Structure of 3586-14-9

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General Information

  • CAS No. 3586-14-9
  • Cat. No. CS-0153214
  • Purity ≥98%
  • MDL No. MFCD00008531
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂O
  • Molecular Weight 184.23
  • Synonym(s) Phenyl m-tolyl ether
  • SMILES CC1=CC(=CC=C1)OC2=CC=CC=C2

Description

1-Methyl-3-phenoxybenzene is a stable, bench-ready aromatic compound featuring a methyl group and a phenoxy substituent on adjacent ring positions. This configuration enhances solubility in organic solvents and provides a robust scaffold for synthetic transformations. The molecule serves as a key intermediate in the development of functionalized aromatics used in agrochemical and pharmaceutical research.

Application

1-Methyl-3-phenoxybenzene serves as a valuable aryl building block in synthetic organic chemistry, offering a stable, bench-ready scaffold with orthogonal functionality. Its structure enables straightforward functionalization at the methyl and phenoxy positions, facilitating coupling reactions and heterocycle construction. The compound exhibits excellent stability, ease of purification, and compatibility with standard reaction conditions, making it well-suited for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      108-39-4
    • ~97%
    • In-stock
      1-Methyl-3-phenoxybenzene|CS-0153214
      3586-14-9

    References

    • Benyahya, Sofia; Monnier, Florian; Taillefer, Marc; Man, Michel Wong Chi; Bied, Catherine; Ouazzani, Fouad Advanced Synthesis and Catalysis, 2008 , vol. 350, # 14-15 p. 2205 - 2208
  • Route2
    • null|null
      108-86-1
    • null|null
      108-39-4
    • ~90%
    • In-stock
      1-Methyl-3-phenoxybenzene|CS-0153214
      3586-14-9

    References

    • Smith, Keith; Jones, Dennis Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 4 p. 407 - 408
  • Route3
    • In-stock
      1-Iodo-3-methylbenzene|CS-W014806
      625-95-6
    • null|null
      108-95-2
    • ~96%
    • In-stock
      1-Methyl-3-phenoxybenzene|CS-0153214
      3586-14-9

    References

    • Kim, Jee Young; Park, Ji Chan; Kim, Aram; Young Kim; Lee, Hyun Ju; Song, Hyunjoon; Park, Kang Hyun European Journal of Inorganic Chemistry, 2009 , # 28 p. 4219 - 4223

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H411
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.78732
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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