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CS-W001157 4
Total: USD 88.00

3-(Benzyloxy)-3-oxopropanoic acid

  • CAS No. 40204-26-0

  • Cat. No. CS-0091017
  • Purity≥97%
  • MDL No.MFCD00138132

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

3-(Benzyloxy)-3-oxopropanoic acid|CS-0091017

Structure of 40204-26-0

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General Information

  • CAS No. 40204-26-0
  • Cat. No. CS-0091017
  • Purity ≥97%
  • MDL No. MFCD00138132
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) mono-Benzyl malonate
  • SMILES O=C(OCC1=CC=CC=C1)CC(O)=O

Description

This β-keto ester derivative features a benzyl ether-stabilized enolizable carbonyl system, enabling straightforward functionalization in synthetic routes. The benzyloxy group enhances solubility and stability under standard conditions, while the oxopropanoic acid moiety serves as a key electrophilic handle for C–C bond formation.

Synthesis

  • Route1
    • null|null
      141-82-2
    • In-stock
      Benzyl alcohol|CS-4355
      100-51-6
    • ~65%
    • In-stock
      3-(Benzyloxy)-3-oxopropanoic acid|CS-0091017
      40204-26-0

    References

    • Hayashi, Daisuke; Kato, Nobuo; Kuzuyama, Tomohisa; Sato, Yasuo; Ohkanda, Junko Chemical Communications, 2013 , vol. 49, # 49 p. 5535 - 5537
  • Route2

    References

    • Patel, Dinesh V.; Young, Marian G.; Robinson, Simon P.; Hunihan, Lisa; Dean, Brenda J.; Gordon, Eric M. Journal of Medicinal Chemistry, 1996 , vol. 39, # 21 p. 4197 - 4210
  • Route3

    References

    • Li, Bryan; Berliner, Martin; Buzon, Richard; Chiu, Charles K.-F.; Colgan, Stephen T.; Kaneko, Takushi; Keene, Nandell; Kissel, William; Le, Tung; Leeman, Kyle R.; Marquez, Brian; Morris, Ronald; Newell, Lisa; Wunderwald, Silke; Witt, Michael; Weaver, John; Zhang, Zhijun; Zhang, Zhongli Journal of Organic Chemistry, 2006 , vol. 71, # 24 p. 9045 - 9050

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.2045
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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