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CS-W001157 4
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1-(4-(Dimethylamino)phenyl)-2-methylpropan-1-one

  • CAS No. 4278-79-9

  • Cat. No. CS-0575242
  • Molecule weight191.27
  • Purity≥98%
  • MDL No.None

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

1-(4-(Dimethylamino)phenyl)-2-methylpropan-1-one|CS-0575242

Structure of 4278-79-9

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General Information

  • CAS No. 4278-79-9
  • Cat. No. CS-0575242
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO
  • Molecular Weight 191.27
  • Synonym(s) 1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one
  • SMILES CC(C)C(=O)C1=CC=C(C=C1)N(C)C

Synthesis

  • Route1

    References

    • Monfette, Sebastien; Turner, Zoe R.; Semproni, Scott P.; Chirik, Paul J. Journal of the American Chemical Society, 2012 , vol. 134, # 10 p. 4561 - 4564
  • Route2

    References

    • Cosner, Casey C.; Bhaskara Reddy Iska, Vijaya; Chatterjee, Anamitra; Markiewicz, John T.; Corden, Steven J.; Loefstedt, Joakim; Ankner, Tobias; Richer, Joshua; Hulett, Tyler; Schauer, Douglas J.; Wiest, Olaf; Helquist, Paul European Journal of Organic Chemistry, 2013 , # 1 p. 162 - 172
  • Route3

    References

    • Chan, Louis K. M.; Poole, Darren L.; Shen, Di; Healy, Mark P.; Donohoe, Timothy J. Angewandte Chemie - International Edition, 2014 , vol. 53, # 3 p. 761 - 765 Angew. Chem., 2014 , vol. 126, # 3 p. 908

Safety Information

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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.5913
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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