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CS-W001157 4
Total: USD 88.00

4,6,7,8-Tetrahydroquinoline-2,5(1H,3H)-dione

  • CAS No. 5057-12-5

  • Cat. No. CS-0033782
  • Molecule weight165.19
  • Purity≥98%
  • MDL No.MFCD01111799

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

4,6,7,8-Tetrahydroquinoline-2,5(1H,3H)-dione|CS-0033782

Structure of 5057-12-5

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General Information

  • CAS No. 5057-12-5
  • Cat. No. CS-0033782
  • Purity ≥98%
  • MDL No. MFCD01111799
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 3,4,7,8-Tetrahydroquinoline-2,5(1H,6H)-dione
  • SMILES O=C1NC2=C(C(CCC2)=O)CC1

Synthesis

  • Route1
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • null|null
      79-10-7
    • ~94%
    • In-stock
      4,6,7,8-Tetrahydroquinoline-2,5(1H,3H)-dione|CS-0033782
      5057-12-5

    References

    • Senthil Kumar; Kumari, Neeta; Luthra, Pratibha Mehta Synthetic Communications, 2013 , vol. 43, # 22 p. 3010 - 3019
  • Route2
    • In-stock
      3-Amino-2-cyclohexen-1-one|CS-0032855
      5220-49-5
    • null|null
      79-10-7
    • ~97%
    • In-stock
      4,6,7,8-Tetrahydroquinoline-2,5(1H,3H)-dione|CS-0033782
      5057-12-5

    References

    • Shono, Tatsuya; Matsumura, Yoshihiro; Kashimura, Shigenori Journal of Organic Chemistry, 1981 , vol. 46, # 18 p. 3719

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   46.17
  • LogP   0.9035
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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