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CS-W001157 4
Total: USD 88.00

3-(4-Methoxyphenyl)-3-methylbutanoic acid

  • CAS No. 1136-01-2

  • Cat. No. CS-0273015
  • Molecule weight208.25
  • Purity≥98%
  • MDL No.None

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

3-(4-Methoxyphenyl)-3-methylbutanoic acid|CS-0273015

Structure of 1136-01-2

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General Information

  • CAS No. 1136-01-2
  • Cat. No. CS-0273015
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) Gliquidone Impurity 6
  • SMILES CC(C)(CC(=O)O)C1=CC=C(C=C1)OC

Synthesis

  • Route1
    • 3-Bromo-3-methylbutanoic acid|CS-0722832
      5798-88-9
    • null|null
      100-66-3
    • ~32%
    • In-stock
      3-(4-Methoxyphenyl)-3-methylbutanoic acid|CS-0273015
      1136-01-2

    References

    • Boehringer Ingelheim Pharma GmbH and Co. KG Patent: US2006/173196 A1, 2006 ; Location in patent: Page/Page column 4 ;
  • Route2
    • In-stock
      3,3-Dimethylacrylic acid|CS-W011327
      541-47-9
    • null|null
      100-66-3
    • ~%
    • In-stock
      3-(4-Methoxyphenyl)-3-methylbutanoic acid|CS-0273015
      1136-01-2

    References

    • Winstein,S.; Heck,R.F. Journal of Organic Chemistry, 1972 , vol. 37, p. 825 - 836
  • Route3

    References

    • Goo-on et al. Journal of Organic Chemistry, 1954 , vol. 19, p. 305,309

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4475
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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