3-methoxy-4-pivaloyloxybenzyl iodide | 919764-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-methoxy-4-pivaloyloxybenzyl iodide
• 英文别名: 4-(Iodomethyl)-2-methoxyphenyl 2,2-dimethylpropanoate；[4-(iodomethyl)-2-methoxyphenyl] 2,2-dimethylpropanoate
• CAS: 919764-17-3
• 化学式: C₁₃H₁₇IO₃
• 分子量: 348.181
• InChiKey: ZDPZWWHGJMEXLO-UHFFFAOYSA-N

物化性质

• 沸点：
  350.1±37.0 °C(Predicted)
• 密度：
  1.476±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methoxy-4-pivaloyloxybenzyl iodide 、 2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以74%的产率得到(3-methoxy-4-pivaloyloxybenzyl)[2-methoxy-4-(3-pivaloyloxypropyl)-6-(2-propenyl)phenyl] ether
  参考文献：
  名称：

  Synthesis of dihydrodehydrodiconiferyl alcohol and derivatives through intramolecular C–H insertion

  摘要：

  The natural dihydrobenzofuran neolignan I and its derivative 3 have been prepared through intramolecular C-H insertion catalyzed by a Rh(II) chiral complex. Moderate diastereo and enantioselectivities were observed. The cis and trans diastereomers were separated and unambiguously identified. The absolute configurations of the major isomers were established through chiral HPLC analysis and study of the Cotton effects in their circular dichroism curves. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.018

文献信息

• Synthesis of dihydrodehydrodiconiferyl alcohol and derivatives through intramolecular C–H insertion
  作者：Sergio García-Muñoz、Míriam Álvarez-Corral、Leticia Jiménez-González、Cristóbal López-Sánchez、Antonio Rosales、Manuel Muñoz-Dorado、Ignacio Rodríguez-García

  DOI：10.1016/j.tet.2006.10.018

  日期：2006.12

  The natural dihydrobenzofuran neolignan I and its derivative 3 have been prepared through intramolecular C-H insertion catalyzed by a Rh(II) chiral complex. Moderate diastereo and enantioselectivities were observed. The cis and trans diastereomers were separated and unambiguously identified. The absolute configurations of the major isomers were established through chiral HPLC analysis and study of the Cotton effects in their circular dichroism curves. (c) 2006 Elsevier Ltd. All rights reserved.