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CS-W001157 4
Total: USD 88.00

m-Tolylacetic acid

  • CAS No. 621-36-3

  • Cat. No. CS-0046111
  • Molecule weight150.18
  • Purity≥98%
  • MDL No.MFCD00004340

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

m-Tolylacetic acid|CS-0046111

Structure of 621-36-3

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General Information

  • CAS No. 621-36-3
  • Cat. No. CS-0046111
  • Purity ≥98%
  • MDL No. MFCD00004340
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.18
  • Synonym(s) 3-Methylbenzeneacetic acid
  • SMILES O=C(O)CC1=CC=CC(C)=C1

Description

m-Tolylacetic acid features a para-substituted benzene ring linked to a carboxylic acid-bearing side chain, offering enhanced solubility and stability in organic synthesis. This bench-stable reagent integrates readily into pharmaceutical intermediates and functional materials, serving as a key scaffold for bioactive molecule construction through C–H functionalization and coupling reactions.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • null|null
      620-19-9
    • ~82%
    • In-stock
      m-Tolylacetic acid|CS-0046111
      621-36-3

    References

    • She, Meng-Yao; Xiao, Da-Wei; Yin, Bing; Yang, Zheng; Liu, Ping; Li, Jian-Li; Shi, Zhen Tetrahedron, 2013 , vol. 69, # 35 p. 7264 - 7268
  • Route2

    References

    • Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences; Huang, Hanmin; Xia, Chungu; Xie, Pan Patent: US2013/303798 A1, 2013 ; Location in patent: Paragraph 0018; 0044; 0045 ;
  • Route3
    • null|null
      201230-82-2
    • null|null
      620-13-3
    • ~15%
    • In-stock
      m-Tolylacetic acid|CS-0046111
      621-36-3
    • null|null
      88364-53-8

    References

    • Journal of Organometallic Chemistry, , vol. 488, # 1-2 p. 25 - 28

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   1.62212
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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