2,3-Dimethyl-2,3-bis[4-(1-methylethyl)cyclopenta-1,4-dienyl]butan

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,3-Dimethyl-2,3-bis[4-(1-methylethyl)cyclopenta-1,4-dienyl]butan
• 英文别名: 3-[2,3-Dimethyl-3-(4-propan-2-ylcyclopenta-1,4-dien-1-yl)butan-2-yl]-1-propan-2-ylcyclopenta-1,3-diene
• 化学式: C₂₂H₃₄
• 分子量: 298.512
• InChiKey: APGQKLDDBCQRPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,3-Di(cyclopentadienyl)-2,3-dimethylbutane 在 sodium 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 15.0h， 生成 2,3-Dimethyl-2,3-bis[4-(1-methylethyl)cyclopenta-1,4-dienyl]butan
  参考文献：
  名称：

  Versuche zur Synthese von [2.2]- und [2.3]Cyclopentadienophanen

  摘要：

  The first [2.2]Cyclopentadienophane (= 2,2,3,3.8,8,9,9-octamethyltricyclo[8.2.1.1(4.7)]tetradecatetraene; 1b) has been synthesized (Scheme 5) by reductive coupling of 6,6-dimethylfulvens 3 --> 5 (50%) followed by base-induced twofold condensation of 1,2-di(cyclopentadienyl)-1,2-dimethylbutane 5 with acetone to give difulvene 15 (95%). Reductive coupling of 15 gives a complex mixture of tautomers of 16, 17, and 1b, which contains ca. 50% of thr target molecule 1b. Other synthetic attempts towards [2.2]cyclopentadienophanes 1a and 1b and [2.3]cyclopentadienophane 18 are discussed.

  DOI：

  10.1002/(sici)1522-2675(19990908)82:9<1509::aid-hlca1509>3.0.co;2-e

文献信息

• Versuche zur Synthese von [2.2]- und [2.3]Cyclopentadienophanen
  作者：Marcel Fischer、Peter Bönzli、Brigitte Stofer、Markus Neuenschwander

  DOI：10.1002/(sici)1522-2675(19990908)82:9<1509::aid-hlca1509>3.0.co;2-e

  日期：1999.9.8

  The first [2.2]Cyclopentadienophane (= 2,2,3,3.8,8,9,9-octamethyltricyclo[8.2.1.1(4.7)]tetradecatetraene; 1b) has been synthesized (Scheme 5) by reductive coupling of 6,6-dimethylfulvens 3 --> 5 (50%) followed by base-induced twofold condensation of 1,2-di(cyclopentadienyl)-1,2-dimethylbutane 5 with acetone to give difulvene 15 (95%). Reductive coupling of 15 gives a complex mixture of tautomers of 16, 17, and 1b, which contains ca. 50% of thr target molecule 1b. Other synthetic attempts towards [2.2]cyclopentadienophanes 1a and 1b and [2.3]cyclopentadienophane 18 are discussed.