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CS-W001157 4
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1,3-Diethyl 2-(3-chlorophenyl)propanedioate

  • CAS No. 93307-66-5

  • Cat. No. CS-0262426
  • Molecule weight270.71
  • Purity≥97%
  • MDL No.None

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

1,3-Diethyl 2-(3-chlorophenyl)propanedioate|CS-0262426

Structure of 93307-66-5

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General Information

  • CAS No. 93307-66-5
  • Cat. No. CS-0262426
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClO₄
  • Molecular Weight 270.71
  • Synonym(s) Propanedioicacid, 2-(3-chlorophenyl)-, 1,3-diethyl ester
  • SMILES O=C(OCC)C(C1=CC=CC(Cl)=C1)C(OCC)=O

Synthesis

  • Route1

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605
  • Route2
    • null|null
      86409-61-2
    • null|null
      105-53-3
    • ~58%
    • 1,3-Diethyl 2-(3-chlorophenyl)propanedioate|CS-0262426
      93307-66-5

    References

    • Baldoli, Clara; Buttero, Paola Del; Licandro, Emanuela; Maiorana, Stefano Gazzetta Chimica Italiana, 1988 , vol. 118, # 5 p. 409 - 414
  • Route3

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.5498
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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