isopropyl 4-cyclohexylbenzoate | 1469538-00-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isopropyl 4-cyclohexylbenzoate
• 英文别名: Propan-2-yl 4-cyclohexylbenzoate；propan-2-yl 4-cyclohexylbenzoate
• CAS: 1469538-00-8
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: VADATNZXRUIRRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  i-propyl 4-dimethylaminobenzoate 在 iron(III)-acetylacetonate 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 isopropyl 4-cyclohexylbenzoate
  参考文献：
  名称：

  Iron-catalyzed cross-coupling of aryltrimethylammonium triflates and alkyl Grignard reagents

  摘要：

  Fe(acac)(3) effectively catalyzes reaction of aryltrimethylammonium triflates with beta-hydrogen-containing primary or secondary alkyl Grignard reagents in a mixed solvent of THF and NMP at room temperature. A series of functional groups are tolerated under the reaction conditions. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.039

文献信息

• Electrochemically Driven <i>para</i>‐Selective C(sp²)−H Alkylation Enabled by Activation of Alkyl Halides without Sacrificial Anodes
  作者：Xinling Li、Weijie Deng、Yating Wen、Ziliang Wang、Jianfeng Zhou、Zhenjie Li、Yibiao Li、Jinhui Hu、Yubing Huang

  DOI：10.1002/chem.202400010

  日期：——

  An electrochemically driven para-selective C(sp2)−H alkylation of electron-deficient arenes (aryl esters, aldehydes, nitriles, and ketones) has been achieved with alkyl halides (I, Br, Cl) as a coupling partner. Under mild electrolytic conditions, a variety of alkylated arenes are obtained in one step through the formation of C(sp2)-C(sp3) bonds. Notably, the reaction enables the activation of alkyl

  以卤代烷 (I, Br, Cl) 作为偶联配偶体，实现了缺电子芳烃（芳基酯、醛、腈和酮）的电化学驱动对位选择性 C(sp 2 )−H 烷基化。在温和的电解条件下，通过C(sp 2 )-C(sp 3 )键的形成一步获得多种烷基化芳烃。值得注意的是，该反应能够在没有牺牲阳极的情况下激活卤代烷。
• Iron-catalyzed cross-coupling of aryltrimethylammonium triflates and alkyl Grignard reagents
  作者：Wang-Jun Guo、Zhong-Xia Wang

  DOI：10.1016/j.tet.2013.09.039

  日期：2013.11

  Fe(acac)(3) effectively catalyzes reaction of aryltrimethylammonium triflates with beta-hydrogen-containing primary or secondary alkyl Grignard reagents in a mixed solvent of THF and NMP at room temperature. A series of functional groups are tolerated under the reaction conditions. (c) 2013 Elsevier Ltd. All rights reserved.