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CS-W001157 4
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Ethyl 4-chloroacetoacetate

  • CAS No. 638-07-3

  • Cat. No. CS-D1440
  • Molecule weight164.59
  • Purity≥95%
  • MDL No.MFCD00000939

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

Ethyl 4-chloroacetoacetate|CS-D1440

Structure of 638-07-3

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General Information

  • CAS No. 638-07-3
  • Cat. No. CS-D1440
  • Purity ≥95%
  • MDL No. MFCD00000939
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉ClO₃
  • Molecular Weight 164.59
  • Synonym(s) Ethyl 4-Chloro-3-oxobutyrate; Ethyl 4-chloroacetoacetate
  • SMILES O=C(OCC)CC(CCl)=O

Description

Ethyl 4-chloroacetoacetate was used in the synthesis of phosphorus ylides.

Application

Ethyl 4-chloroacetoacetate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles, furans, and other nitrogen- and oxygen-containing scaffolds. Its α-halo carbonyl functionality facilitates nucleophilic substitution and Michael addition reactions, while the ester group supports selective transformations under standard conditions. Bench-stable and readily purified by distillation or flash chromatography, it functions effectively in multi-step synthetic sequences requiring functional group tolerance and predictable reactivity.

Synthesis

  • Route1
    • Ethyl 4,4-dichloro-3-oxobutanoate|CS-0668404
      6082-74-2
    • ~66%
    • In-stock
      Ethyl 4-chloroacetoacetate|CS-D1440
      638-07-3

    References

    • Terent'ev; Vasil'eva; Mysova; Chakhovskaya Russian Journal of Organic Chemistry, 2004 , vol. 40, # 7 p. 924 - 927
  • Route2
    • null|null
      41295-64-1
    • null|null
      64-17-5
    • ~%
    • In-stock
      Ethyl 4-chloroacetoacetate|CS-D1440
      638-07-3

    References

    • EP2518043 A1, ; Page/Page column 10; 11 ;
  • Route3
    • null|null
      591-78-6
    • Ethyl 4,4-dichloro-3-oxobutanoate|CS-0668404
      6082-74-2
    • ~40%
    • In-stock
      Ethyl 4-chloroacetoacetate|CS-D1440
      638-07-3
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9

    References

    • Russian Journal of Organic Chemistry, , vol. 40, # 7 p. 924 - 927

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06,GHS09
Signal Word : Danger
UN#: 2922
Class : 8 (6.1)
Packing Group : Ⅱ
Hazard Statements : H301+H311-H314-H411
Precautionary Statements : P260-P264-P270-P273-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.7475
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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