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CS-W001157 4
Total: USD 88.00

4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid

  • CAS No. 72653-14-6

  • Cat. No. CS-0038862
  • Molecule weight274.27
  • Purity≥97%
  • MDL No.None

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

4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid|CS-0038862

Structure of 72653-14-6

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General Information

  • CAS No. 72653-14-6
  • Cat. No. CS-0038862
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₇
  • Molecular Weight 274.27
  • Synonym(s) 4-acetyl-4-(ethoxycarbonyl)pimelic acid
  • SMILES CCOC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)C

Synthesis

  • Route1
    • 1,3,5-Pentanetricarboxylic acid, 3-acetyl-, 1,5-bis(1,1-dimethylethyl) 3-ethyl ester|CS-0039576
      1135619-58-7
    • ~%
    • In-stock
      4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid|CS-0038862
      72653-14-6

    References

    • WO2007/71966 A1, ; Page/Page column 60 ; WO 2007/071966 A1
  • Route2
    • null|null
      72948-75-5
    • ~%
    • In-stock
      4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid|CS-0038862
      72653-14-6

    References

    • Helvetica Chimica Acta, , vol. 62, p. 2802 - 2816
  • Route3

    References

    • Helvetica Chimica Acta, , vol. 62, p. 2802 - 2816

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   117.97
  • LogP   0.8545
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   9

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