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CS-W001157 4
Total: USD 88.00

1-(2-Hydroxy-6-methylphenyl)ethanone

  • CAS No. 41085-27-2

  • Cat. No. CS-W021205
  • Molecule weight150.17
  • Purity≥95%
  • MDL No.None

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

1-(2-Hydroxy-6-methylphenyl)ethanone|CS-W021205

Structure of 41085-27-2

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General Information

  • CAS No. 41085-27-2
  • Cat. No. CS-W021205
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) 1-(2-hydroxy-6-methylphenyl)ethan-1-one
  • SMILES CC(C1=C(C)C=CC=C1O)=O

Description

1-(2-Hydroxy-6-methylphenyl)ethanone features a phenolic hydroxyl group flanked by a methyl substituent and a ketone-linked ethyl side chain, enabling direct integration into synthetic routes requiring ortho-substituted aromatic ketones. This bench-stable compound facilitates efficient derivatization in pharmaceutical intermediates and functional material synthesis under standard conditions.

Application

1-(2-Hydroxy-6-methylphenyl)ethanone serves as a versatile building block in medicinal chemistry and natural product synthesis, enabling efficient access to substituted phenolic scaffolds. Its ortho-hydroxyl and methyl groups provide regioselective reactivity for derivatization, while the acetyl functionality offers stability and ease of purification. The compound functions effectively in coupling reactions and serves as a precursor for heterocyclic systems through established synthetic pathways.

Synthesis

  • Route1
    • In-stock
      2-Bromo-3-methylphenol|CS-W004719
      22061-78-5
    • null|null
      97674-02-7
    • ~84%
    • In-stock
      1-(2-Hydroxy-6-methylphenyl)ethanone|CS-W021205
      41085-27-2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GmbH; CARSON, Rebekah J.; FADER, Lee; KAWAI, Stephen; LANDRY, Serge Patent: WO2009/62288 A1, 2009 ; Location in patent: Page/Page column 67-68 ;
  • Route2

    References

    • LABORATOIRE BIODIM; CHASSET, Sophie; CHEVREUIL, Francis; LEDOUSSAL, Benoit; LE STRAT, Frederic; BENAROUS, Richard Patent: WO2012/137181 A1, 2012 ; Location in patent: Page/Page column 119 ;
  • Route3
    • In-stock
      Ethyl 2-hydroxy-6-methylbenzoate|CS-W017212
      6555-40-4
    • null|null
      75-16-1
    • ~75%
    • In-stock
      1-(2-Hydroxy-6-methylphenyl)ethanone|CS-W021205
      41085-27-2

    References

    • Uto, Yoshikazu; Ueno, Yuko; Kiyotsuka, Yohei; Miyazawa, Yuriko; Kurata, Hitoshi; Ogata, Tsuneaki; Yamada, Makiko; Deguchi, Tsuneo; Konishi, Masahiro; Takagi, Toshiyuki; Wakimoto, Satoko; Ohsumi, Jun European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 4788 - 4796

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.90322
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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