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CS-W001157 4
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4,4-Dimethyl-2-(p-tolyl)-4,5-dihydrooxazole

  • CAS No. 79568-30-2

  • Cat. No. CS-0589437
  • Molecule weight189.25
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethyl-2-(p-tolyl)-4,5-dihydrooxazole|CS-0589437

Structure of 79568-30-2

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General Information

  • CAS No. 79568-30-2
  • Cat. No. CS-0589437
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO
  • Molecular Weight 189.25
  • Synonym(s) 4,4-dimethyl-2-(4-methylphenyl)-5H-1,3-oxazole
  • SMILES CC1=CC=C(C=C1)C2=NC(CO2)(C)C

Synthesis

  • Route1

    References

    • Mallory, Frank B.; Butler, Kelly E.; Evans, Amanda C.; Brondyke, Emilie J.; Mallory, Clelia W.; Yang, Changqing; Ellenstein, Aviva Journal of the American Chemical Society, 1997 , vol. 119, # 9 p. 2119 - 2124
  • Route2

    References

    • Katritzky, Alan R.; Cai, Chunming; Suzuki, Kazuyuki; Singh, Sandeep K. Journal of Organic Chemistry, 2004 , vol. 69, # 3 p. 811 - 814
  • Route3

    References

    • Kangani, Cyrous O.; Kelley, David E. Tetrahedron Letters, 2005 , vol. 46, # 51 p. 8917 - 8920

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   21.59
  • LogP   2.55042
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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