2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole] | 290348-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole]
• 英文别名: 4-Tert-butyl-2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole；4-tert-butyl-2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
• CAS: 290348-17-3
• 化学式: C₂₀H₂₄N₂S₂
• 分子量: 356.556
• InChiKey: SQPYULNJKIHBKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole] 在 正丁基锂 、 四氯化钛 、 铜 、 锌 作用下， 以 四氢呋喃 、 吡啶 、 正己烷 为溶剂， 反应 68.25h， 生成 4,9,18,23,32,37-hexa(tert-butyl)-45,46,49,50,53,54-hexathia-3,10,17,24,31,38-hexaazadecacyclo[38.2.2.2^12,15.2^26,29.1^2,5.1^8,11.1^16,19.1^22,25.1^30,33.1^36,39]tetrapentaconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,43...
  参考文献：
  名称：

  摘要：

  The syntheses of 2,2'-bithiazole-containing and related expanded macrocycles 13-16 were accomplished by the McMurry coupling reaction of the corresponding [2,2'-bithiazole]-5,5'-dicarbardehyde 6c and 2,2'-(1,4-phenylene)bis[thiazole-5-carbaldehyde] 7, readily available by a two-step reaction sequence. The success of the dimerization strongly depends on the steric repulsion of the substituents vicinal to the CHO group.

  DOI：

  10.1002/1522-2675(20000607)83:6<1161::aid-hlca1161>3.0.co;2-2
• 作为产物：
  描述：

  苯-1,4-二硫代苯甲酰胺 、 1-溴频哪酮 以 乙醇 为溶剂， 反应 3.0h， 以80%的产率得到2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole]
  参考文献：
  名称：

  摘要：

  The syntheses of 2,2'-bithiazole-containing and related expanded macrocycles 13-16 were accomplished by the McMurry coupling reaction of the corresponding [2,2'-bithiazole]-5,5'-dicarbardehyde 6c and 2,2'-(1,4-phenylene)bis[thiazole-5-carbaldehyde] 7, readily available by a two-step reaction sequence. The success of the dimerization strongly depends on the steric repulsion of the substituents vicinal to the CHO group.

  DOI：

  10.1002/1522-2675(20000607)83:6<1161::aid-hlca1161>3.0.co;2-2

文献信息

• ——
  作者：Thomas Nussbaumer、Richard Neidlein

  DOI：10.1002/1522-2675(20000607)83:6<1161::aid-hlca1161>3.0.co;2-2

  日期：2000.6.7

  The syntheses of 2,2'-bithiazole-containing and related expanded macrocycles 13-16 were accomplished by the McMurry coupling reaction of the corresponding [2,2'-bithiazole]-5,5'-dicarbardehyde 6c and 2,2'-(1,4-phenylene)bis[thiazole-5-carbaldehyde] 7, readily available by a two-step reaction sequence. The success of the dimerization strongly depends on the steric repulsion of the substituents vicinal to the CHO group.