4,4'-methylene-bis(cyclohexanone) | 51113-52-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4'-methylene-bis(cyclohexanone)
• 英文别名: 4,4'-methylenebis(cyclohexanone)；4,4'-methanediyl-bis-cyclohexanone；4,4'-Methandiyl-bis-cyclohexanon；4-[(4-Oxocyclohexyl)methyl]cyclohexan-1-one
• CAS: 51113-52-1
• 化学式: C₁₃H₂₀O₂
• 分子量: 208.301
• InChiKey: ZOLFBGNMCGRRKG-UHFFFAOYSA-N

物化性质

• 沸点：
  343.2±15.0 °C(Predicted)
• 密度：
  1.043±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-methylene-bis(cyclohexanone) 生成 4,4'-methanediyl-bis-cyclohexanone disemicarbazone
  参考文献：
  名称：

  v. Braun; Irmisch, Chemische Berichte, 1931, vol. 64, p. 2621,2624

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-二羟基二苯甲烷 在 chromium(VI) oxide 、 镍 、 溶剂黄146 、 萘烷 作用下， 240.0 ℃ 、19.61 MPa 条件下， 生成 4,4'-methylene-bis(cyclohexanone)
  参考文献：
  名称：

  v. Braun; Irmisch, Chemische Berichte, 1931, vol. 64, p. 2621,2624

  摘要：

  DOI：

文献信息

• Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst
  申请人：——

  公开号：US20020128149A1

  公开（公告）日：2002-09-12

  A catalyst includes a cyclic imide compound having an N-substituted cyclic imide skeleton represented by following Formula (I): 1 wherein X is an oxygen atom or a hydroxyl group, and having a solubility parameter of less than or equal to 26 [(MPa) ½ ] as determined by Fedors method. The catalyst may further comprise a metallic compound. By allowing (A) a compound capable of forming a radical to react with (B) a radical scavenging compound in the presence of the catalyst, an addition or substitution reaction product between the compound (A) and the compound (B) or a derivative thereof can be obtained.

  催化剂包括具有由下式（I）表示的N-取代的环状亚酰亚胺骨架的环状亚酰亚胺化合物，其中X是氧原子或羟基，并且具有由Fedors方法确定的溶解度参数小于或等于26 [（MPa）½]。该催化剂还可以包括金属化合物。通过允许（A）能够形成自由基的化合物与（B）自由基清除化合物在催化剂存在的情况下发生反应，可以获得化合物（A）和化合物（B）之间的加成或取代反应产物或其衍生物。
• The effect of two electron-withdrawing groups on remote tertiary hydrogens susceptible to electrophilic fluorination using F2
  作者：Chava Gal、Shlomo Rozen

  DOI：10.1016/s0022-1139(00)82295-2

  日期：1982.7

  The direct electrophilic fluorination of unactivated remote tertiary hydrogens is effected by the number, nature and distance of electron-withdrawing groups. The effect of these groups on reducing electron density of the tertiary CH bond seems to be additive. The more remote these groups are from the reaction center, the higher the yield of the fluorination.

  未活化的远端叔氢的直接亲电子氟化作用受吸电子基团的数量，性质和距离的影响。这些基团对降低叔CH键的电子密度的影响似乎是加和的。这些基团离反应中心越远，氟化的产率越高。
• Novel (meth)acrylates and methods of producing thereof
  申请人：Yokoyama Keiichi

  公开号：US20060167305A1

  公开（公告）日：2006-07-27

  The invention provides a (meth)acrylate represented by the general formula (I) wherein X is a single bond or an alkylidene group having the general formula (II) wherein R 3 and R 4 are independently hydrogen atoms or alkyl groups having 1 to 4 carbon atoms, R 1 is a hydrogen atom or a methyl group, R 2 is an alkyl group having 1 to 4 carbon atoms, m is 0 or 1, and when m is 0, n is 3, and when m is 1, n is 0. The (meth)acrylate is obtained by reacting a cycloaliphatic ketone, an organomagnesium halide and a (meth)acrylic acid ester in the presence of an amine under the industrially feasible reaction conditions and operation according to the invention.

  本发明提供了一种由一般式（I）表示的（甲基）丙烯酸酯，其中X是单键或具有一般式（II）的烷基亚甲基基团，其中R3和R4分别是氢原子或具有1至4个碳原子的烷基基团，R1是氢原子或甲基基团，R2是具有1至4个碳原子的烷基基团，m为0或1，当m为0时，n为3，当m为1时，n为0。该（甲基）丙烯酸酯是通过在本发明的工业可行反应条件和操作下，在胺的存在下，将环状脂肪酮、有机镁卤化物和（甲基）丙烯酸酯反应而得到的。
• Catalyst comprising n-substituted cylic imides and processes for preparing organic compounds with the catalyst
  申请人：——

  公开号：US20030013603A1

  公开（公告）日：2003-01-16

  A catalyst of the invention includes an imide compound having a N-substituted cyclic imide skeleton represented by following Formula (I): 1 wherein R is a hydroxyl-protecting group. Preferred R is a hydrolyzable protecting group. R may be a group obtained from an acid by eliminating an OH group therefrom. Such acids include, for example, carboxylic acids, sulfonic acids, carbonic acid, carbamic acid, sulfuric acid, nitric acid, phosphoric acids and boric acids. The catalyst may include the imide compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  该发明的催化剂包括具有以下式（I）所表示的N-取代环状亚酰胺骨架的亚酰胺化合物：其中R是羟基保护基。首选R是可水解的保护基。R可以是从酸中消除OH基团得到的基团。这些酸包括例如羧酸，磺酸，碳酸，氨基甲酸，硫酸，硝酸，磷酸和硼酸。催化剂可以包括亚酰胺化合物和金属化合物的组合。在催化剂的存在下，将能够形成自由基的化合物（A）与自由基清除化合物（B）反应，从而生成化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和条件下通过加成或取代反应以高选择性高产率地产生有机化合物。
• Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same
  申请人：Ishii Yasutaka

  公开号：US20050020439A1

  公开（公告）日：2005-01-27

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  该发明的催化剂包括具有下式表示的环状酰脲骨架的环状酰脲化合物（I）：其中R是氢原子或羟基保护基；n为1或2；G是碳原子或氮原子，当n为2时，两个G可以相同或不同。该催化剂可以包括环状酰脲化合物和金属化合物的组合物。在催化剂的存在下，（A）能够形成自由基的化合物与（B）自由基清除化合物反应，从而产生化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和条件下通过加成或取代反应产生高选择性和高产率的有机化合物。