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CS-W001157 4
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2-(3,4-Dimethoxyphenyl)-2-methylpropanoic acid

  • CAS No. 59212-11-2

  • Cat. No. CS-0453958
  • Molecule weight224.25
  • Purity≥98%
  • MDL No.None

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

2-(3,4-Dimethoxyphenyl)-2-methylpropanoic acid|CS-0453958

Structure of 59212-11-2

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General Information

  • CAS No. 59212-11-2
  • Cat. No. CS-0453958
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₄
  • Molecular Weight 224.25
  • Synonym(s) 2-(3,4-Dimethoxyphenyl)-2-methylpropionsaeure
  • SMILES CC(C)(C1=CC(=C(C=C1)OC)OC)C(=O)O

Synthesis

  • Route1
    • 2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile|CS-0308002
      23023-16-7
    • ~99%
    • 2-(3,4-Dimethoxyphenyl)-2-methylpropanoic acid|CS-0453958
      59212-11-2

    References

    • EXELIXIS, INC.; BOLLU, Venkataiah; BOREN, Brant, Clayton; DALGARD, Jackline, Eve; FLATT, Brenton, T.; HAQ, Nadia; HUDSON, Sarah; MOHAN, Raju; MORRISSEY, Michael; PRATT, Benjamin; WANG, Tie-lin Patent: WO2010/93845 A1, 2010 ; Location in patent: Page/Page column 160-161 ; WO 2010/093845 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.066
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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