2-Bromo-6-methoxymethyl-6-methyl-cyclohex-3-enone | 841277-23-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Bromo-6-methoxymethyl-6-methyl-cyclohex-3-enone
• 英文别名: 2-Bromo-6-(methoxymethyl)-6-methylcyclohex-3-en-1-one；2-bromo-6-(methoxymethyl)-6-methylcyclohex-3-en-1-one
• CAS: 841277-23-4
• 化学式: C₉H₁₃BrO₂
• 分子量: 233.105
• InChiKey: BKJKCIQYRMIQSS-UHFFFAOYSA-N

物化性质

• 沸点：
  249.4±40.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium benzoate 、 2-Bromo-6-methoxymethyl-6-methyl-cyclohex-3-enone 在 4 A molecular sieve 、 四丁基硫酸氢铵 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以48%的产率得到Benzoic acid 5-methoxymethyl-5-methyl-6-oxo-cyclohex-1-enyl ester
  参考文献：
  名称：

  Synthesis of α- and/or γ-benzoyloxy-α,β-enones from α-halo-α,β-enones

  摘要：

  Sodium benzoate reacts with alpha-halo-alpha,beta-enones in the presence of tetrabutylammonium hydrogensulfate or 18-Crown-6 to afford alpha- and/or gamma-benzoyloxy-alpha,beta-enones in good yield. The alpha/gamma and gamma/gamma' selectivities are dependent on the Substrate and reagent. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.119
• 作为产物：
  描述：

  2-Bromo-6-methoxymethyl-6-methyl-cyclohex-2-enone 在 溶剂黄146 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到2-Bromo-6-methoxymethyl-6-methyl-cyclohex-3-enone
  参考文献：
  名称：

  Synthesis of α- and/or γ-benzoyloxy-α,β-enones from α-halo-α,β-enones

  摘要：

  Sodium benzoate reacts with alpha-halo-alpha,beta-enones in the presence of tetrabutylammonium hydrogensulfate or 18-Crown-6 to afford alpha- and/or gamma-benzoyloxy-alpha,beta-enones in good yield. The alpha/gamma and gamma/gamma' selectivities are dependent on the Substrate and reagent. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.119

文献信息

• Synthesis of α- and/or γ-benzoyloxy-α,β-enones from α-halo-α,β-enones
  作者：Yujiro Hayashi、Mitsuru Shoji、Satoshi Kishida

  DOI：10.1016/j.tetlet.2004.11.119

  日期：2005.1

  Sodium benzoate reacts with alpha-halo-alpha,beta-enones in the presence of tetrabutylammonium hydrogensulfate or 18-Crown-6 to afford alpha- and/or gamma-benzoyloxy-alpha,beta-enones in good yield. The alpha/gamma and gamma/gamma' selectivities are dependent on the Substrate and reagent. (C) 2004 Elsevier Ltd. All rights reserved.