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CS-W001157 4
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Ethyl 3-(chloromethyl)benzoate

  • CAS No. 54589-54-7

  • Cat. No. CS-0199658
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(chloromethyl)benzoate|CS-0199658

Structure of 54589-54-7

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General Information

  • CAS No. 54589-54-7
  • Cat. No. CS-0199658
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₂
  • Molecular Weight 198.65
  • Synonym(s) Ethyl 3-chloromethylbenzoate
  • SMILES CCOC(=O)C1=CC=CC(=C1)CCl

Description

Ethyl 3-(chloromethyl)benzoate features a reactive chloromethyl group flanked by an electron-rich aromatic ring and an ester functionality, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. This bench-stable reagent integrates readily into complex molecular architectures under mild conditions.

Application

Ethyl 3-(chloromethyl)benzoate serves as a versatile synthetic intermediate, enabling efficient introduction of a reactive chloromethyl group at the meta position of a benzoate scaffold. It functions as a key building block for heterocycle construction and side-chain functionalization in medicinal chemistry workflows. The molecule exhibits good bench stability and compatibility with standard nucleophilic substitution reactions, facilitating straightforward derivatization under mild conditions.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6021
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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