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CS-W001157 4
Total: USD 88.00

3-Chloro-2-oxopropyl acetate

  • CAS No. 40235-68-5

  • Cat. No. CS-W018134
  • Purity≥97%
  • MDL No.MFCD00191365

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

3-Chloro-2-oxopropyl acetate|CS-W018134

Structure of 40235-68-5

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General Information

  • CAS No. 40235-68-5
  • Cat. No. CS-W018134
  • Purity ≥97%
  • MDL No. MFCD00191365
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇ClO₃
  • Molecular Weight 150.56
  • Synonym(s) Acetoxychloroacetone
  • SMILES O=C(CCl)COC(C)=O

Description

3-Chloro-2-oxopropyl acetate is a reactive acetylating agent featuring a chloroketone moiety that enables selective functionalization of nucleophiles. This bench-stable, moisture-tolerant reagent integrates seamlessly into synthetic sequences requiring controlled acylation under mild conditions.

Application

3-Chloro-2-oxopropyl acetate serves as a versatile acylating agent and synthetic intermediate in organic synthesis, enabling efficient introduction of chloroacetyl functionality. Its stability under standard bench conditions and compatibility with diverse nucleophiles facilitate straightforward derivatization. The molecule functions as a key building block for heterocyclic systems and carbonyl-containing scaffolds, particularly in the construction of bioactive intermediates where controlled reactivity and ease of purification are essential.

Synthesis

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      64-19-7
    • ~76%
    • In-stock
      3-Chloro-2-oxopropyl acetate|CS-W018134
      40235-68-5

    References

    • Journal of Organic Chemistry, , vol. 68, # 8 p. 3323 - 3326
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    • In-stock
      Potassium acetate, for molecular biology|CS-0911127
      127-08-2
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      534-07-6
    • ~%
    • In-stock
      3-Chloro-2-oxopropyl acetate|CS-W018134
      40235-68-5

    References

    • Chemische Berichte, , vol. 48, p. 2003
  • Route3
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      127-09-3
    • null|null
      534-07-6
    • ~%
    • In-stock
      3-Chloro-2-oxopropyl acetate|CS-W018134
      40235-68-5

    References

    • Journal of Medicinal Chemistry, , vol. 20, p. 644 - 647

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H302+H312+H332-H314
Precautionary Statements : P210-P260-P264-P270-P271-P280-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.3574
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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