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5,5-Dimethyl-3-(p-tolylamino)cyclohex-2-en-1-one

  • CAS No. 36646-78-3

  • Cat. No. CS-0281378
  • Molecule weight229.32
  • Purity≥97%
  • MDL No.None

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

5,5-Dimethyl-3-(p-tolylamino)cyclohex-2-en-1-one|CS-0281378

Structure of 36646-78-3

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General Information

  • CAS No. 36646-78-3
  • Cat. No. CS-0281378
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO
  • Molecular Weight 229.32
  • Synonym(s) 5,5-Dimethyl-3-[(4-methylphenyl)amino]cyclohex-2-en-1-one
  • SMILES CC1=CC=C(C=C1)NC2=CC(=O)CC(C)(C)C2

Synthesis

  • Route1

    References

    • Kaupp, Gerd; Schmeyers, Jens; Boy, Juergen Advanced Synthesis and Catalysis, 2000 , vol. 342, # 3 p. 269 - 280
  • Route2

    References

    • Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112
  • Route3

    References

    • Haas Journal of the Chemical Society, 1906 , vol. 89, p. 200

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.67992
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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