2-butyl-6-methyl-benzonitrile | 960137-54-6

• 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: 2-butyl-6-methyl-benzonitrile
• 英文别名: 2-Butyl-6-methylbenzonitrile
• CAS: 960137-54-6
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: OXXJFMNPGUQSRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-碘丁烷 、 2-碘代甲苯 、 alkaline earth salt of/the/ methylsulfuric acid 在 palladium diacetate 、 三苯基膦 降冰片烯 、 caesium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 以84%的产率得到2-butyl-6-methyl-benzonitrile
  参考文献：
  名称：

  通过钯催化的 C-H 官能化聚合合成多取代芳香腈

  摘要：

  报道了一种钯催化的 CH 官能化反应，用于合成高度取代的芳香腈。广泛的芳基碘化物可以与金属氰化物和烷基卤化物或芳基溴化物偶联，证明了该反应的模块化。

  DOI：

  10.1021/ja075599i

文献信息

• Novel Sulfonic-Acid-Group-Containing Segmented Block Copolymer, Application Thereof, and Method of Manufacturing Novel Block Copolymer
  申请人：Kitamura Kouta

  公开号：US20110065021A1

  公开（公告）日：2011-03-17

  [Object] To provide a proton exchange membrane for a fuel cell having excellent proton conductivity, lower property of swelling with hot water, and excellent durability, as well as a block copolymer forming the proton exchange membrane, and a composition, a molded product, a fuel cell proton exchange membrane electrode assembly, and a fuel cell. [Solving Means] (1) A block copolymer having a hydrophilic segment and a hydrophobic segment and having a structure expressed by Chemical Formula 1 below (where X represents H or a univalent cation, Y represents sulfonyl group or carbonyl group, each of Z and z′ independently represents any of O and S atoms, W represents one or more group selected from the group consisting of direct bond between benzenes, sulfone group and carbonyl group, each of Ar 1 and Ar 2 independently represents divalent aromatic group, and each of n and m independently represents an integer from 2 to 100), and a molded product, a composition, and a proton exchange membrane, as well as a fuel cell including the proton exchange membrane.
• US8187734B2
  申请人：——

  公开号：US8187734B2

  公开（公告）日：2012-05-29
• A Convergent Synthesis of Polysubstituted Aromatic Nitriles via Palladium-Catalyzed C−H Functionalization
  作者：Brian Mariampillai、Julien Alliot、Mengzhou Li、Mark Lautens

  DOI：10.1021/ja075599i

  日期：2007.12.1

  A palladium-catalyzed C-H functionalization reaction for the synthesis of highly substituted aromatic nitriles is reported. The modularity of the reaction is demonstrated by the broad range of aryl iodides which can be coupled with metal cyanides and alkyl halides or aryl bromides.

  报道了一种钯催化的 CH 官能化反应，用于合成高度取代的芳香腈。广泛的芳基碘化物可以与金属氰化物和烷基卤化物或芳基溴化物偶联，证明了该反应的模块化。