2-cyclohexyl-1-(4-isopropylphenyl)ethanone | 1154956-33-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexyl-1-(4-isopropylphenyl)ethanone
• 英文别名: 2-Cyclohexyl-1-(4-propan-2-ylphenyl)ethanone
• CAS: 1154956-33-8
• 化学式: C₁₇H₂₄O
• 分子量: 244.377
• InChiKey: XHOHDBGOKPXPGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-cyclohexyl-1-(4-isopropylphenyl)ethanone 、 4-羟基-4’-(三甲基乙酰氧基)二苯甲酮 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以81.8%的产率得到
  参考文献：
  名称：

  Synthesis on novel Tamoxifen derivatives

  摘要：

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.089
• 作为产物：
  描述：

  2-cyclohexyl-1-(4-isopropylphenyl)ethanol 在 三氧化硫吡啶 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以70%的产率得到2-cyclohexyl-1-(4-isopropylphenyl)ethanone
  参考文献：
  名称：

  Synthesis on novel Tamoxifen derivatives

  摘要：

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.089

文献信息

• Selective control of secondary alcohols upgrading using Ir-catalyzed cross-coupling strategy
  作者：Siqi Yang、Zeye Lu、Jiale Ji、Qingshu Zheng、Tao Tu

  DOI：10.1007/s11426-023-1843-8

  日期：2024.3

  The selective coupling of alcohols is a fascinating yet challenging approach for upgrading alcohols. Herein, we accomplished the controlled production of β-disubstituted ketones or upgraded secondary alcohols via the Ir-catalyzed cross-coupling of secondary alcohols in excellent yields with broad substrate scopes. This selective control was achieved by using an in-situ generated mono-NHC-Ir or a tris-NHC-Ir

  醇的选择性偶联是一种令人着迷但具有挑战性的醇升级方法。在此，我们通过Ir 催化的仲醇交叉偶联，实现了β-二取代酮或升级仲醇的受控生产，具有优异的产率和广泛的底物范围。这种选择性控制是通过分别使用原位生成的单-NHC-Ir或三-NHC-Ir络合物作为催化剂来实现的。机理研究表明，这些双功能催化剂的脱氢和加氢能力之间的微妙平衡对于实现不同的选择性至关重要。三-NHC-Ir络合物有效地促进了醇的脱氢和中间体的氢化，从而产生了所需的升级仲醇。相反，单-NHC-Ir络合物的高脱氢能力促进了形成的仲醇转化回酮。
• Synthesis on novel Tamoxifen derivatives
  作者：Jullien Rey、Haipeng Hu、James P. Snyder、Anthony G.M. Barrett

  DOI：10.1016/j.tet.2012.08.089

  日期：2012.11

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.