2,5-diethynylbenzonitrile | 1146301-65-6

• 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: 2,5-diethynylbenzonitrile
• 英文别名: 2,5-Diethynylbenzonitrile
• CAS: 1146301-65-6
• 化学式: C₁₁H₅N
• 分子量: 151.167
• InChiKey: PXZHSEGNORPXOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 2,5-diethynylbenzonitrile 以 四氢呋喃 、 二氯甲烷 为溶剂， 以74%的产率得到1,4-[RuCl(CO)(PMe3)3CH=CH]2C6H3CN
  参考文献：
  名称：

  Synthesis, Characterization, and Substituent Effects of Binuclear Ruthenium Vinyl Complexes [RuCl(CO)(PMe₃)₃]₂(μ-CH═CH−Ar−CH═CH)

  摘要：

  A series of binuclear ruthenium vinyl complexes [RuCl(CO)(PMe3)(3)](2)(mu-CH=CH-Ar-CH=CH) (Ar = C6H4 (6a), C6H3CH3 (6b), C6H3OCH3 (6c), C6H3F (6d), C6H3Cl (6e), C6H3Br (6f), C6H3CN (6g), C6H3NO2 (6h), C6H2(CH3)(2)-2,5 (6i), C6H2(OCH3)(2)-2,5 (6i), C6H2(F)(2)-2,5 (6k), C6H2(CF3)(2)-2,5 (6l), and C6H3CF3 (6m)) have been prepared. The respective products have been characterized by elemental analyses, NMR spectrometry, and UV/vis spectrophotometry. The structures of 6h, 6i, and 6j have been established by X-ray crystallography. Electrochemical studies have revealed that intermetallic electron communication between the two Ru centers may be fine-tuned by modification of the bridging spacers, that is, by introducing one or two substituent groups on the 1,4-diethenylphenylene bridge. Electron-releasing substituents have been found to facilitate electron communication between the two metal centers.

  DOI：

  10.1021/om900018y

文献信息

• ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Liu Bingcan

  公开号：US20130072523A1

  公开（公告）日：2013-03-21

  Compounds represented by Formula I: (I) or pharmaceutically acceptable salts thereof, wherein A, B, B′, X, Y, R1, R 2 , R 2 ′, R 3 , R 3 ′, R 4 , R 4 ′, R 5′ , R 5′ m, n, or p are as defined herein, are useful for treating flaviviridae viral infections.

  公式I所代表的化合物：(I)或其药学上可接受的盐，其中A、B、B'、X、Y、R1、R2、R2'、R3、R3'、R4、R4'、R5'、R5'、m、n或p的定义如本文所述，可用于治疗黄病毒科病毒感染。
• [EN] ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS<br/>[FR] ANALOGUES DESTINÉS AU TRAITEMENT OU À LA PRÉVENTION D'INFECTIONS À FLAVIVIRUS
  申请人：VERTEX PHARMA

  公开号：WO2011079327A1

  公开（公告）日：2011-06-30

  Compounds represented by Formula I: (I) or pharmaceutically acceptable salts thereof, wherein A, B, B', X, Y, R1, R2, R2', R3, R3', R4, R4', R5, R5'm, n, or p are as defined herein, are useful for treating flaviviridae viral infections.
• Synthesis, Characterization, and Substituent Effects of Binuclear Ruthenium Vinyl Complexes [RuCl(CO)(PMe₃)₃]₂(μ-CH═CH−Ar−CH═CH)
  作者：Xiang Hua Wu、Shan Jin、Jin Hua Liang、Zi Yong Li、Guang-ao Yu、Sheng Hua Liu

  DOI：10.1021/om900018y

  日期：2009.4.27

  A series of binuclear ruthenium vinyl complexes [RuCl(CO)(PMe3)(3)](2)(mu-CH=CH-Ar-CH=CH) (Ar = C6H4 (6a), C6H3CH3 (6b), C6H3OCH3 (6c), C6H3F (6d), C6H3Cl (6e), C6H3Br (6f), C6H3CN (6g), C6H3NO2 (6h), C6H2(CH3)(2)-2,5 (6i), C6H2(OCH3)(2)-2,5 (6i), C6H2(F)(2)-2,5 (6k), C6H2(CF3)(2)-2,5 (6l), and C6H3CF3 (6m)) have been prepared. The respective products have been characterized by elemental analyses, NMR spectrometry, and UV/vis spectrophotometry. The structures of 6h, 6i, and 6j have been established by X-ray crystallography. Electrochemical studies have revealed that intermetallic electron communication between the two Ru centers may be fine-tuned by modification of the bridging spacers, that is, by introducing one or two substituent groups on the 1,4-diethenylphenylene bridge. Electron-releasing substituents have been found to facilitate electron communication between the two metal centers.