2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole-5-carbaldehyde] | 290348-16-2

• 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-5-carbaldehyde]
• 英文别名: 4-Tert-butyl-2-[4-(4-tert-butyl-5-formyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carbaldehyde；4-tert-butyl-2-[4-(4-tert-butyl-5-formyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carbaldehyde
• CAS: 290348-16-2
• 化学式: C₂₂H₂₄N₂O₂S₂
• 分子量: 412.577
• InChiKey: IGOKXJMSLWOMSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole-5-carbaldehyde] 在 四氯化钛 、 铜 、 锌 、 ammonium hydroxide 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 67.0h， 以9.8%的产率得到4,9,18,23-tetra(tert-butyl)-31,32,35,36-tetrathia-3,10,17,24-tetraazaheptacyclo[24.2.2.2^12,15.1^2,5.1^8,11.1^16,19.1^22,25]hexatriaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26,29,33-hexadecaene
  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 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 4.25h， 生成 2,2'-(1,4-phenylene)bis[4-(tert-butyl)thiazole-5-carbaldehyde]
  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.