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CS-W001157 4
Total: USD 88.00

4-(2,2-Dimethylpropyl)benzoic acid

  • CAS No. 65687-52-7

  • Cat. No. CS-0222046
  • Molecule weight192.25
  • Purity≥95%
  • MDL No.None

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

4-(2,2-Dimethylpropyl)benzoic acid|CS-0222046

Structure of 65687-52-7

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General Information

  • CAS No. 65687-52-7
  • Cat. No. CS-0222046
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) p-neopentylbenzoic acid
  • SMILES CC(C)(C)CC1=CC=C(C=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      64268-28-6
    • ~%
    • 4-(2,2-Dimethylpropyl)benzoic acid|CS-0222046
      65687-52-7

    References

    • Li, Zhen; Chen, Weirong; Hale, Jeffrey J.; Lynch, Christopher L.; Mills, Sander G.; Hajdu, Richard; Keohane, Carol Ann; Rosenbach, Mark J.; Milligan, James A.; Shei, Gan-Ju; Chrebet, Gary; Parent, Stephen A.; Bergstrom, James; Card, Deborah; Forrest, Michael; Quackenbush, Elizabeth J.; Wickham, L. Alexandra; Vargas, Hugo; Evans, Rose M.; Rosen, Hugh; Mandala, Suzanne Journal of Medicinal Chemistry, 2005 , vol. 48, # 20 p. 6169 - 6173
  • Route2
    • null|null
      79-37-8
    • null|null
      64-17-5
    • In-stock
      Neopentylbenzene|CS-0325516
      1007-26-7
    • ~%
    • 4-(2,2-Dimethylpropyl)benzoic acid|CS-0222046
      65687-52-7

    References

    • American Cyanamid Company Patent: US4623662 A1, 1986 ;
  • Route3
    • null|null
      24797-40-8
    • ~%
    • 4-(2,2-Dimethylpropyl)benzoic acid|CS-0222046
      65687-52-7

    References

    • Reuvers,A.J.M. et al. Tetrahedron, 1970 , vol. 26, p. 2683 - 2694

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9734
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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