[bi-3-isopropyl-1,3,5-cycloheptatrien-1-yl]-7,7'-dione | 1163301-40-3

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: [bi-3-isopropyl-1,3,5-cycloheptatrien-1-yl]-7,7'-dione
• 英文别名: 2-(7-Oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one；2-(7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
• CAS: 1163301-40-3
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: KAJZAHOMTCQHBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-chloro-4-isopropyltropone 在 bis(1,5-cyclooctadiene)nickel (0) 、 三(吡唑)甲烷 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以75%的产率得到[bi-3-isopropyl-1,3,5-cycloheptatrien-1-yl]-7,7'-dione
  参考文献：
  名称：

  Homocoupling of Halotropones Promoted by Bis(1,5-cyclooctadiene) Nickel in the Presence of Tris(1-pyrazolyl)methane: An Easy Route to [Bi-1,3,5-cycloheptatrien-1-yl]-7,7′-diones

  摘要：

  An efficient homocoupling of 2-halotropones, to afford 2,2'-bitropones, occurs in toluene at rt in the presence of stoichiometric amounts of [Ni(cod)2] and tris(1-pyrazolyl)methane ligand, in a 1:1 molar ratio. This methodology was extended to aryl halides.

  DOI：

  10.1080/00397910802563404

文献信息

• Homocoupling of Halotropones Promoted by <i>Bis</i>(1,5-cyclooctadiene) Nickel in the Presence of <i>Tris</i>(1-pyrazolyl)methane: An Easy Route to [Bi-1,3,5-cycloheptatrien-1-yl]-7,7′-diones
  作者：Tiziana Funaioli、Marino Cavazza

  DOI：10.1080/00397910802563404

  日期：2009.4.7

  An efficient homocoupling of 2-halotropones, to afford 2,2'-bitropones, occurs in toluene at rt in the presence of stoichiometric amounts of [Ni(cod)2] and tris(1-pyrazolyl)methane ligand, in a 1:1 molar ratio. This methodology was extended to aryl halides.