3-Cyanomethyl-5,5-dimethyl-2-cyclohexenon | 65253-25-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Cyanomethyl-5,5-dimethyl-2-cyclohexenon
• 英文别名: 2-(5,5-Dimethyl-3-oxo-1-cyclohexenyl)acetonitrile；2-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetonitrile
• CAS: 65253-25-0
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: XWBIWCIZYOBPJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Cyanomethyl-5,5-dimethyl-2-cyclohexenon 、 乙氧基甲叉丙二酸二乙酯 在 4-二甲氨基吡啶 、 sodium hydride 作用下， 以 mineral oil 为溶剂， 反应 1.0h， 以45%的产率得到ethyl 4-cyano-6,6-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate
  参考文献：
  名称：

  Carboannulation Reactions of Cyclohexenone Derivatives: Synthesis of Functionalized α-Tetralones

  摘要：

  3-(乙氧基羰基甲基烯)-和3-(氰基甲基烯)环己烯酮与乙氧基甲基烯丙二酸酯衍生物的碱介导的环缩合反应，导致两种官能化的β-四氢萘酮，其选择性取决于反应物的化学计量比。当使用过量的迈克尔受体时，可以选择性获得β-四氢萘酮。

  DOI：

  10.1055/s-0029-1217159

文献信息

• Non-linear optically active molecules, their synthesis, and use
  申请人：McGinniss D. Vincent

  公开号：US20080004415A1

  公开（公告）日：2008-01-03

  In one aspect, the present invention provides a hyperpolarizable organic chromophore. The chromophore is a nonlinear optically active compound that includes a π-donor conjugated to a π-acceptor through a π-electron conjugated bridge. In other aspects of the invention, donor structures and acceptor structures are provided. In another aspect of the invention, a chromophore-containing polymer is provided. In one embodiment, the chromophore is physically incorporated into the polymer to provide a composite. In another embodiment, the chromophore is covalently bonded to the polymer, either as a side chain polymer or through crosslinking into the polymer. In other aspects, the present invention also provides a method for making the chromophore, a method for making the chromophore-containing polymer, and methods for using the chromophore and chromophore-containing polymer.

  在一个方面，本发明提供了一种高极化有机色团。该色团是一种非线性光学活性化合物，包括一个π-给体通过一个π-电子共轭桥连接到一个π-受体上。在本发明的其他方面，提供了给体结构和受体结构。在发明的另一个方面，提供了含有色团的聚合物。在一种实施例中，色团被物理地并入聚合物中以提供复合材料。在另一种实施例中，色团通过侧链聚合物或交联到聚合物中与聚合物共价键合。在其他方面，本发明还提供了制备色团的方法、制备含有色团的聚合物的方法以及使用色团和含有色团的聚合物的方法。
• Non-linear opticaly active molecules, their synthesis, and use
  申请人：McGinniss Vincent D.

  公开号：US20120059163A1

  公开（公告）日：2012-03-08

  In one aspect, the present invention provides a hyperpolarizable organic chromophore. The chromophore is a nonlinear optically active compound that includes a π-donor conjugated to a π-acceptor through a π-electron conjugated bridge. In other aspects of the invention, donor structures and acceptor structures are provided. In another aspect of the invention, a chromophore-containing polymer is provided. In one embodiment, the chromophore is physically incorporated into the polymer to provide a composite. In another embodiment, the chromophore is covalently bonded to the polymer, either as a side chain polymer or through crosslinking into the polymer. In other aspects, the present invention also provides a method for making the chromophore, a method for making the chromophore-containing polymer, and methods for using the chromophore and chromophore-containing polymer.
• Carboannulation Reactions of Cyclohexenone Derivatives: Synthesis of Functionalized α-Tetralones
  作者：Bernard Cazes、Mohamed Tabouazat、Ahmed El Louzi、Mohammed Ahmar

  DOI：10.1055/s-0029-1217159

  日期：——

  The base-mediated cyclocondensation reactions of 3-(ethoxycarbonylmethylene)- and 3-(cyanomethylene)cyclohexen­ones with ethoxymethylenemalonate derivatives lead to two functionalized α-tetralones with selectivities which depend on the stoichiometric ratio of the reactants. α-Tetralones are selectively obtained when excess Michael acceptor is used.

  3-(乙氧基羰基甲基烯)-和3-(氰基甲基烯)环己烯酮与乙氧基甲基烯丙二酸酯衍生物的碱介导的环缩合反应，导致两种官能化的β-四氢萘酮，其选择性取决于反应物的化学计量比。当使用过量的迈克尔受体时，可以选择性获得β-四氢萘酮。