2,6-Dimethyl-terephthaloyl dichloride | 52850-48-3

• 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: 2,6-Dimethyl-terephthaloyl dichloride
• 英文别名: 2,6-Dimethylbenzene-1,4-dicarbonyl chloride
• CAS: 52850-48-3
• 化学式: C₁₀H₈Cl₂O₂
• 分子量: 231.078
• InChiKey: KZWDEVQEBTXXJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  2,6-Dimethyl-terephthaloyl dichloride 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1,4-Bis(hydroxymethyl)-2,6-dimethylbenzene
  参考文献：
  名称：

  Conformational Studies of Selectively Methylated [2.2](1,3)(1,4)Cyclophanes. Steric Effects in the Relative Conformational Ground States

  摘要：

  Three selectively methylated [2.2](1,3)(1,4)cyclophanes, namely, 12,15-dimethyl-, 12,16-dimethyl-, and 12,13,14,15-tetramethyl[2.2](1,3)(1,4)cyclophanes, were synthesized from their corresponding dithia[3.3](1,3)(1,4)cyclophanes by the photochemical desulfurization method. Dynamic H-1 NMR spectroscopy was employed to estimate the relative conformational barrier in each [2.2]cyclophane. The results show that there is an increase of about 13 kJ mol(-1) going from the parent [2.2](1,3)(1,4)cyclophane to its 12,15- and 12,16-dimethyl derivatives. This is consistent with the fact that the presence of the methyl substituents increases the relative conformational ground-state energy more than it would affect the transition-state energy. The conformational barrier of the 12,13,15,16-tetramethyl derivative was unexpectedly found to be similar to those of the two dimethylated derivatives. This however could be explained by a decrease in the transition-state energy due to inward bending of the (1,4)-bridged ring accompanied by a decrease in conformational ground-state energy due to outward bending of the methyl groups.

  DOI：

  10.1021/jo00091a027
• 作为产物：
  描述：

  2,6-二甲基-对二苯甲酸 在 氯化亚砜 作用下， 反应 8.0h， 生成 2,6-Dimethyl-terephthaloyl dichloride
  参考文献：
  名称：

  Conformational Studies of Selectively Methylated [2.2](1,3)(1,4)Cyclophanes. Steric Effects in the Relative Conformational Ground States

  摘要：

  Three selectively methylated [2.2](1,3)(1,4)cyclophanes, namely, 12,15-dimethyl-, 12,16-dimethyl-, and 12,13,14,15-tetramethyl[2.2](1,3)(1,4)cyclophanes, were synthesized from their corresponding dithia[3.3](1,3)(1,4)cyclophanes by the photochemical desulfurization method. Dynamic H-1 NMR spectroscopy was employed to estimate the relative conformational barrier in each [2.2]cyclophane. The results show that there is an increase of about 13 kJ mol(-1) going from the parent [2.2](1,3)(1,4)cyclophane to its 12,15- and 12,16-dimethyl derivatives. This is consistent with the fact that the presence of the methyl substituents increases the relative conformational ground-state energy more than it would affect the transition-state energy. The conformational barrier of the 12,13,15,16-tetramethyl derivative was unexpectedly found to be similar to those of the two dimethylated derivatives. This however could be explained by a decrease in the transition-state energy due to inward bending of the (1,4)-bridged ring accompanied by a decrease in conformational ground-state energy due to outward bending of the methyl groups.

  DOI：

  10.1021/jo00091a027

文献信息

• [EN] PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS<br/>[FR] COMPOSÉS DE PHOSPHINYLAMIDINE, COMPLEXES DE MÉTAL, SYSTÈMES DE CATALYSEUR, ET LEUR UTILISATION POUR OLIGOMÉRISER OU POLYMÉRISER DES OLÉFINES
  申请人：CHEVRON PHILLIPS CHEMICAL CO

  公开号：WO2011082192A1

  公开（公告）日：2011-07-07

  N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, N2-phosphinyl amidinate metal salt complexes are described. Methods for making N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, and N2-phosphinyl amidinate metal salt complexes are also disclosed. Catalyst systems utilizing the N2-phosphinyl amidine metal salt complexes and N2-phosphinyl amidinate metal salt complexes are also disclosed along with the use of the N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, and N2-phosphinyl amidinate metal salt complexes for the oligomerization and/or polymerization of olefins.

  描述了N2-膦胺化合物、N2-膦胺酸盐、N2-膦胺金属盐络合物、N2-膦胺酸盐金属盐络合物。还公开了制备N2-膦胺化合物、N2-膦胺酸盐、N2-膦胺金属盐络合物和N2-膦胺酸盐金属盐络合物的方法。还公开了利用N2-膦胺金属盐络合物和N2-膦胺酸盐金属盐络合物的催化剂系统，以及利用N2-膦胺化合物、N2-膦胺酸盐、N2-膦胺金属盐络合物和N2-膦胺酸盐金属盐络合物进行烯烃的寡聚和/或聚合的用途。
• Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins
  申请人：Chevron Phillips Chemical Company LP

  公开号：US10144752B2

  公开（公告）日：2018-12-04

  N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, N2-phosphinyl amidinate metal salt complexes are described. Methods for making N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, and N2-phosphinyl amidinate metal salt complexes are also disclosed. Catalyst systems utilizing the N2-phosphinyl amidine metal salt complexes and N2-phosphinyl amidinate metal salt complexes are also disclosed along with the use of the N2-phosphinyl amidine compounds, N2-phosphinyl amidinates, N2-phosphinyl amidine metal salt complexes, and N2-phosphinyl amidinate metal salt complexes for the oligomerization and/or polymerization of olefins.

  描述了 N2-膦酰基脒化合物、N2-膦酰基脒、N2-膦酰基脒金属盐络合物和 N2-膦酰基脒金属盐络合物。还公开了制造 N2-膦酰基脒化合物、N2-膦酰基脒、N2-膦酰基脒金属盐络合物和 N2-膦酰基脒金属盐络合物的方法。还公开了利用 N2-膦酰基脒金属盐络合物和 N2-膦酰基脒金属盐络合物的催化剂体系，以及 N2-膦酰基脒化合物、N2-膦酰基脒、N2-膦酰基脒金属盐络合物和 N2-膦酰基脒金属盐络合物在烯烃的低聚和/或聚合中的用途。
• Lai Yee-Hing, Yap Angeline Hui-Tin, Novak Igor, J. Org. Chem, 59 (1994) N 12, S 3381-3385
  作者：Lai Yee-Hing, Yap Angeline Hui-Tin, Novak Igor

  DOI：——

  日期：——
• PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS
  申请人：Chevron Phillips Chemical Company LP

  公开号：EP2519532B1

  公开（公告）日：2017-03-08
• Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins
  申请人：Sydora Orson L.

  公开号：US20120309965A1

  公开（公告）日：2012-12-06

  N 2 -phosphinyl amidine compounds, N 2 -phosphinyl amidinates, N 2 -phosphinyl amidine metal salt complexes, N 2 -phosphinyl amidinate metal salt complexes are described. Methods for making N 2 -phosphinyl amidine compounds, N 2 -phosphinyl amidinates, N 2 -phosphinyl amidine metal salt complexes, and N 2 -phosphinyl amidinate metal salt complexes are also disclosed. Catalyst systems utilizing the N 2 -phosphinyl amidine metal salt complexes and N 2 -phosphinyl amidinate metal salt complexes are also disclosed along with the use of the N 2 -phosphinyl amidine compounds, N 2 -phosphinyl amidinates, N 2 -phosphinyl amidine metal salt complexes, and N 2 -phosphinyl amidinate metal salt complexes for the oligomerization and/or polymerization of olefins.