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CS-W001157 4
Total: USD 88.00

4-Chlorobutyl acetate

  • CAS No. 6962-92-1

  • Cat. No. CS-W010967
  • Purity≥97%
  • MDL No.MFCD00001013

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

4-Chlorobutyl acetate|CS-W010967

Structure of 6962-92-1

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General Information

  • CAS No. 6962-92-1
  • Cat. No. CS-W010967
  • Purity ≥97%
  • MDL No. MFCD00001013
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁ClO₂
  • Molecular Weight 150.60
  • Synonym(s) Acetic Acid 4-Chlorobutyl Ester
  • SMILES CC(=O)OCCCCCl

Description

4-Chlorobutyl acetate is a chlorinated ester featuring a reactive acetyl group and a terminal chlorine atom. This bifunctional moiety integrates readily into synthetic pathways requiring orthogonal reactivity, enabling selective derivatization under mild conditions. The molecule exhibits favorable solubility in organic solvents and maintains stability during standard bench handling.

Application

4-Chlorobutyl acetate serves as a versatile bifunctional building block, enabling efficient synthesis of γ-chloroalkylated esters and heterocyclic scaffolds. Its reactive chloro group facilitates nucleophilic substitution, while the acetyl ester provides a handle for selective hydrolysis or derivatization. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1
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      109-99-9
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      75-36-5
    • ~96%
    • In-stock
      4-Chlorobutyl acetate|CS-W010967
      6962-92-1

    References

    • Suresh; Suryakiran; Venkateswarlu Canadian Journal of Chemistry, 2007 , vol. 85, # 12 p. 1037 - 1040
  • Route2

    References

    • Gomez; Gellibert; Wagner; Mioskowski Tetrahedron Letters, 2000 , vol. 41, # 32 p. 6049 - 6052
  • Route3
    • null|null
      109-99-9
    • null|null
      75-36-5
    • ~%
    • In-stock
      4-Chlorobutyl acetate|CS-W010967
      6962-92-1
    • null|null
      55847-35-3

    References

    • Tetrahedron, , vol. 61, # 18 p. 4447 - 4452

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.5685
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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