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<p>A three-steps procedure for obtaining 6-bromohexanol from available ε-caprolactone was modified to reach a total yield of 43%. Quantum chemistry methods were used to study a side process occurring in the second step of the synthesis, namely, the esterification of Br(CH<sub>2</sub>)<sub>5</sub>COOH with methanol which gives MeO(CH<sub>2</sub>)<sub>5</sub>COOMe, and a mechanism for the implementation of this step was proposed. Based on the suggested mechanism, the procedure for performing this step was corrected to avoid the side product formation.</p>

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Synthesis of 6-bromohexanol from ε-caprolactone: synthetic features and theoretical aspects

  • 期刊论文

  • 发表日期：

    2025年4月1日

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  • A. D. Trubachev,
  • K. V. Zaitsev

摘要

A three-steps procedure for obtaining 6-bromohexanol from available ε-caprolactone was modified to reach a total yield of 43%. Quantum chemistry methods were used to study a side process occurring in the second step of the synthesis, namely, the esterification of Br(CH2)5COOH with methanol which gives MeO(CH2)5COOMe, and a mechanism for the implementation of this step was proposed. Based on the suggested mechanism, the procedure for performing this step was corrected to avoid the side product formation.