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CS-W001157 4
Total: USD 88.00

Triethyl 4-oxocyclohexane-1,1,3-tricarboxylate

  • CAS No. 57899-62-4

  • Cat. No. CS-0574760
  • Purity≥98%
  • MDL No.None

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

Triethyl 4-oxocyclohexane-1,1,3-tricarboxylate|CS-0574760

Structure of 57899-62-4

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General Information

  • CAS No. 57899-62-4
  • Cat. No. CS-0574760
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂O₇
  • Molecular Weight 314.33
  • Synonym(s) 1,1,3-Cyclohexanetricarboxylic acid, 4-oxo-, 1,1,3-triethyl ester
  • SMILES CCOC(=O)C1CC(CCC1=O)(C(=O)OCC)C(=O)OCC

Synthesis

  • Route1
    • null|null
      140-88-5
    • null|null
      105-53-3
    • ~81%
    • Triethyl 4-oxocyclohexane-1,1,3-tricarboxylate|CS-0574760
      57899-62-4

    References

    • Sanchez, Ignacio H.; Ortega, Armando; Garcia, Gabriel; Larraza, Maria Isabel; Flores, Humberto J. Synthetic Communications, 1985 , vol. 15, # 2 p. 141 - 150
  • Route2
    • null|null
      141-78-6
    • null|null
      105-53-3
    • ~38%
    • Triethyl 4-oxocyclohexane-1,1,3-tricarboxylate|CS-0574760
      57899-62-4

    References

    • CENTAURUS BIOPHARMA CO., LTD.; XIAO, Dengming; ZHU, Li; HU, Yuandong; YU, Rong; HU, Wei; ZHAO, Na; PENG, Yong; LUO, Hong; HAN, Yongxin Patent: WO2013/97773 A1, 2013 ; Location in patent: Paragraph 0218 ;
  • Route3
    • 1,3,3,5-Tetraethyl 1,3,3,5-pentanetetracarboxylate|CS-0651484
      6297-36-5
    • ~%
    • Triethyl 4-oxocyclohexane-1,1,3-tricarboxylate|CS-0574760
      57899-62-4

    References

    • Oosterbaan, Wibren D.; Koper, Carola; Braam, Thijs W.; Hoogesteger, Frans J.; Piet, Jacob J.; Jansen, Bart A. J.; Van Walree, Cornelis A.; Van Ramesdonk, H. Johan; Goes, Marijn; Verhoeven, Jan W.; Schuddeboom, Wouter; Warman, John M.; Jenneskens, Leonardus W. Journal of Physical Chemistry A, 2003 , vol. 107, # 19 p. 3612 - 3624

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   95.97
  • LogP   1.0313
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   6

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