4-(2-methyl-2-((triphenylmethoxy)methyl)butoxy)benzene-1,2-dicarbonitrile | 130326-31-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-(2-methyl-2-((triphenylmethoxy)methyl)butoxy)benzene-1,2-dicarbonitrile
• 英文别名: 4-[2-Methyl-2-(trityloxymethyl)butoxy]benzene-1,2-dicarbonitrile
• CAS: 130326-31-7
• 化学式: C₃₃H₃₀N₂O₂
• 分子量: 486.613
• InChiKey: QRMQKZNZPGJCTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-methyl-2-((triphenylmethoxy)methyl)butoxy)benzene-1,2-dicarbonitrile 在 氨 、 sodium 作用下， 以 甲醇 为溶剂， 以1.04 g的产率得到3-imino-5-[2-methyl-2-(trityloxymethyl)butoxy]isoindol-1-amine
  参考文献：
  名称：

  Syntheses of monometalated and unsymmetrically substituted binuclear phthalocyanines and a pentanuclear phthalocyanine by solution and polymer support methods

  摘要：

  Binuclear phthalocyanines in which two different phthalocyanine nuclei are covalently linked through five-atom bridges, derived from 2-ethyl-2-methylpropane-1,3-diol, are prepared. In the examples, one phthalocyanine ring is always substituted with neopentoxy substituents, while the other phthalocyanine ring is unsubstituted or contains tert-butyl substituents or a neopentoxy-substituted copper phthalocyanine, constituting a binuclear phthalocyanine in which only one ring is metalated. The precursor, 2-(2-(hydroxymethyl)-2-methylbutoxy)-9,16,23-trineopentoxyphthalocyanine was prepared in solution and also by solid-phase methods, using polymer-bound trityl chloride derived from a 1% divinylbenzene-co-styrene copolymer. A metal-free pentanuclear phthalocyanine, in which four phthalocyaninyl groups are covalently bound to the four benzo groups of a central phthalocyanine nucleus, is described and characterized by FAB mass spectroscopy. In some experiments some rare examples of demetalation of some zinc phthalocyanines are noted during phthalocyanine formation. A modified flash chromatography procedure proved to be useful for separating similarly substituted mononuclear phthalocyanines.

  DOI：

  10.1021/jo00001a019
• 作为产物：
  描述：

  2-乙基-2-甲基-1,3-丙二醇 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 生成 4-(2-methyl-2-((triphenylmethoxy)methyl)butoxy)benzene-1,2-dicarbonitrile
  参考文献：
  名称：

  Syntheses of monometalated and unsymmetrically substituted binuclear phthalocyanines and a pentanuclear phthalocyanine by solution and polymer support methods

  摘要：

  Binuclear phthalocyanines in which two different phthalocyanine nuclei are covalently linked through five-atom bridges, derived from 2-ethyl-2-methylpropane-1,3-diol, are prepared. In the examples, one phthalocyanine ring is always substituted with neopentoxy substituents, while the other phthalocyanine ring is unsubstituted or contains tert-butyl substituents or a neopentoxy-substituted copper phthalocyanine, constituting a binuclear phthalocyanine in which only one ring is metalated. The precursor, 2-(2-(hydroxymethyl)-2-methylbutoxy)-9,16,23-trineopentoxyphthalocyanine was prepared in solution and also by solid-phase methods, using polymer-bound trityl chloride derived from a 1% divinylbenzene-co-styrene copolymer. A metal-free pentanuclear phthalocyanine, in which four phthalocyaninyl groups are covalently bound to the four benzo groups of a central phthalocyanine nucleus, is described and characterized by FAB mass spectroscopy. In some experiments some rare examples of demetalation of some zinc phthalocyanines are noted during phthalocyanine formation. A modified flash chromatography procedure proved to be useful for separating similarly substituted mononuclear phthalocyanines.

  DOI：

  10.1021/jo00001a019

文献信息

• LEZNOFF, CLIFFORD C.;SVIRSKAYA, POLINA I.;KHOUW, BEN;CERNY, RONALD L.;SEY+, J. ORG. CHEM., 56,(1991) N, C. 82-90
  作者：LEZNOFF, CLIFFORD C.、SVIRSKAYA, POLINA I.、KHOUW, BEN、CERNY, RONALD L.、SEY+

  DOI：——

  日期：——
• Syntheses of monometalated and unsymmetrically substituted binuclear phthalocyanines and a pentanuclear phthalocyanine by solution and polymer support methods
  作者：Clifford C. Leznoff、Polina I. Svirskaya、Ben Khouw、Ronald L. Cerny、Penny Seymour、A. B. P. Lever

  DOI：10.1021/jo00001a019

  日期：1991.1

  Binuclear phthalocyanines in which two different phthalocyanine nuclei are covalently linked through five-atom bridges, derived from 2-ethyl-2-methylpropane-1,3-diol, are prepared. In the examples, one phthalocyanine ring is always substituted with neopentoxy substituents, while the other phthalocyanine ring is unsubstituted or contains tert-butyl substituents or a neopentoxy-substituted copper phthalocyanine, constituting a binuclear phthalocyanine in which only one ring is metalated. The precursor, 2-(2-(hydroxymethyl)-2-methylbutoxy)-9,16,23-trineopentoxyphthalocyanine was prepared in solution and also by solid-phase methods, using polymer-bound trityl chloride derived from a 1% divinylbenzene-co-styrene copolymer. A metal-free pentanuclear phthalocyanine, in which four phthalocyaninyl groups are covalently bound to the four benzo groups of a central phthalocyanine nucleus, is described and characterized by FAB mass spectroscopy. In some experiments some rare examples of demetalation of some zinc phthalocyanines are noted during phthalocyanine formation. A modified flash chromatography procedure proved to be useful for separating similarly substituted mononuclear phthalocyanines.