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2-Methyl-2-(o-tolyloxy)propanoic acid

  • CAS No. 53498-62-7

  • Cat. No. CS-0453363
  • Molecule weight194.23
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-(o-tolyloxy)propanoic acid|CS-0453363

Structure of 53498-62-7

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General Information

  • CAS No. 53498-62-7
  • Cat. No. CS-0453363
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) 2-Methyl-2-(2-methylphenoxy)propanoic acid
  • SMILES CC1=CC=CC=C1OC(C)(C)C(=O)O

Synthesis

  • Route1
    • null|null
      71659-82-0
    • ~52%
    • 2-Methyl-2-(o-tolyloxy)propanoic acid|CS-0453363
      53498-62-7

    References

    • Shamovsky, Igor; De Graaf, Chris; Alderin, Lisa; Bengtsson, Malena; Bladh, Hakan; Boerjesson, Lena; Connolly, Stephen; Dyke, Hazel J.; Van Den Heuvel, Marco; Johansson, Henrik; Josefsson, Bo-Goeran; Kristoffersson, Anna; Linnanen, Tero; Lisius, Annea; Maennikkoe, Roope; Norden, Bo; Price, Steve; Ripa, Lena; Rognan, Didier; Rosendahl, Alexander; Skrinjar, Marco; Urbahns, Klaus Journal of Medicinal Chemistry, 2009 , vol. 52, # 23 p. 7706 - 7723
  • Route2

    References

    • WO2005/49578 A1, ; Page/Page column 160 ; WO 2005/049578 A1
  • Route3

    References

    • Organic Process Research and Development, , vol. 11, # 6 p. 1032 - 1042

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.23702
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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