4,4'-di(tert-butyl)-2,2'-bithiazole-5,5'-dicarbaldehyde | 290348-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,4'-di(tert-butyl)-2,2'-bithiazole-5,5'-dicarbaldehyde
• 英文别名: 4-Tert-butyl-2-(4-tert-butyl-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde；4-tert-butyl-2-(4-tert-butyl-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
• CAS: 290348-15-1
• 化学式: C₁₆H₂₀N₂O₂S₂
• 分子量: 336.479
• InChiKey: UQVPCJXWCNGANK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  4,4'-di(tert-butyl)-2,2'-bithiazole-5,5'-dicarbaldehyde 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6.4%的产率得到4,9,14,19-tetra(tert-butyl)-21,22,23,24-tetrathia-3,10,13,20-tetraazapentacyclo[16.2.1.1^2,5.1^8,11.1^12,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
  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：

  1-溴频哪酮 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 7.25h， 生成 4,4'-di(tert-butyl)-2,2'-bithiazole-5,5'-dicarbaldehyde
  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.