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CS-W001157 4
Total: USD 88.00

4-(4,4-Dimethylpiperidin-1-yl)benzoic acid

  • CAS No. 406233-26-9

  • Cat. No. CS-0369524
  • Purity≥98%
  • MDL No.None

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

4-(4,4-Dimethylpiperidin-1-yl)benzoic acid|CS-0369524

Structure of 406233-26-9

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General Information

  • CAS No. 406233-26-9
  • Cat. No. CS-0369524
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₂
  • Molecular Weight 233.31
  • Synonym(s) 4-(4,4-DIMETHYL-PIPERIDIN-1-YL)-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(N2CCC(C)(C)CC2)C=C1

Synthesis

  • Route1
    • Ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate|CS-0452208
      406233-25-8
    • ~97%
    • In-stock
      4-(4,4-Dimethylpiperidin-1-yl)benzoic acid|CS-0369524
      406233-26-9

    References

    • Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181
  • Route2
    • Ethyl 4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)benzoate|CS-0320562
      279692-23-8
    • ~%
    • In-stock
      4-(4,4-Dimethylpiperidin-1-yl)benzoic acid|CS-0369524
      406233-26-9

    References

    • Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181
  • Route3
    • null|null
      279692-22-7
    • ~%
    • In-stock
      4-(4,4-Dimethylpiperidin-1-yl)benzoic acid|CS-0369524
      406233-26-9

    References

    • Wendt, Michael D.; Shen, Wang; Kunzer, Aaron; McClellan, William J.; Bruncko, Milan; Oost, Thorsten K.; Ding, Hong; Joseph, Mary K.; Zhang, Haichao; Nimmer, Paul M.; Ng, Shi-Chung; Shoemaker, Alexander R.; Petros, Andrew M.; Oleksijew, Anatol; Marsh, Kennan; Bauch, Joy; Oltersdorf, Tilman; Belli, Barbara A.; Martineau, Darlene; Fesik, Stephen W.; Rosenberg, Saul H.; Elmore, Steven W. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 1165 - 1181

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

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   3.0112
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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