3-iodopentanoic acid | 1533458-85-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-iodopentanoic acid
• CAS: 1533458-85-3
• 化学式: C₅H₉IO₂
• 分子量: 228.03
• InChiKey: MBUZJHOJWSDHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  8.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  titanium(IV) isopropylate 、 二氧化碳 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.5h， 生成 2-甲基丁酸 、 2-(iodomethyl)butanoic acid 、 3-iodopentanoic acid 、 正戊酸
  参考文献：
  名称：

  A study of the reaction of n-BuLi with Ti(Oi-Pr)4 as a method to generate titanacyclopropane and titanacyclopropene species

  摘要：

  The use of the combination of reagents Ti(Oi-Pr)(4)/n-BuLi, introduced by the group of J.J. Eisch in 2001, has only found a few applications so far, with sometimes conflicting observations. This article describes a study aimed at clarifying the nature, the stability and the reactivity of the active organometallic species involved. Reactions with CO2 and other trapping reagents reveal that it is generated within a few minutes at 0 degrees C in THF, where it can be considered to be stable for 30 min. Most of our results are consistent with the expected titanacyclopropane nature of this reagent but some observations suggest that the chemistry at play may be more complicated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.12.048

文献信息

• A study of the reaction of n-BuLi with Ti(Oi-Pr)4 as a method to generate titanacyclopropane and titanacyclopropene species
  作者：Valentin A. Rassadin、Yvan Six

  DOI：10.1016/j.tet.2013.12.048

  日期：2014.1

  The use of the combination of reagents Ti(Oi-Pr)(4)/n-BuLi, introduced by the group of J.J. Eisch in 2001, has only found a few applications so far, with sometimes conflicting observations. This article describes a study aimed at clarifying the nature, the stability and the reactivity of the active organometallic species involved. Reactions with CO2 and other trapping reagents reveal that it is generated within a few minutes at 0 degrees C in THF, where it can be considered to be stable for 30 min. Most of our results are consistent with the expected titanacyclopropane nature of this reagent but some observations suggest that the chemistry at play may be more complicated. (C) 2013 Elsevier Ltd. All rights reserved.