(3R,5R)-3,5-bis(4-methoxyphenyl)spiro[cyclohexane-4,2'-indene]-1,1',3'-trione

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (3R,5R)-3,5-bis(4-methoxyphenyl)spiro[cyclohexane-4,2'-indene]-1,1',3'-trione
• 化学式: C₂₈H₂₄O₅
• 分子量: 440.496
• InChiKey: WWLCJZULYFCYTI-JWQCQUIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3R,5R)-3,5-bis(4-methoxyphenyl)spiro[cyclohexane-4,2'-indene]-1,1',3'-trione 在 lithium aluminium tetrahydride 、 磷酸 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 51.0h， 生成 (1S,8R,15R,22S)-5,18-dimethoxyheptacyclo[13.10.1.02,7.08,26.09,14.016,21.022,26]hexacosa-2(7),3,5,9,11,13,16(21),17,19-nonaen-24-one
  参考文献：
  名称：

  A Polycyclic Aromatic Hydrocarbon Bearing an All-cis Tetrabenzo[5.5.5.5]fenestrane (Fenestrindane) Core Merged with Two Hexa-peri-hexabenzocoronene Units

  摘要：

  The successful merging of two multiply tert-butylated hexa-peri-hexabenzocoronene (HBC) units with all-cis-tetrabenzo[5.5.5.5]fenestrane (fenestrindane) at two opposite aromatic rings was described. Due to steric inhibition of the tert-butyl substituents near the merging region with the fenestrindane core, attempts to construct a highly warped but fully conjugated polycyclic aromatic hydrocarbon that contains two cycloheptatriene rings failed to materialize.

  DOI：

  10.1055/s-0035-1561443
• 作为产物：
  描述：

  1,3-茚满二酮 、 双(4-甲氧亚苄基)丙酮 在 溶剂黄146 作用下， 反应 20.0h， 以88%的产率得到(3R,5R)-3,5-bis(4-methoxyphenyl)spiro[cyclohexane-4,2'-indene]-1,1',3'-trione
  参考文献：
  名称：

  A Polycyclic Aromatic Hydrocarbon Bearing an All-cis Tetrabenzo[5.5.5.5]fenestrane (Fenestrindane) Core Merged with Two Hexa-peri-hexabenzocoronene Units

  摘要：

  The successful merging of two multiply tert-butylated hexa-peri-hexabenzocoronene (HBC) units with all-cis-tetrabenzo[5.5.5.5]fenestrane (fenestrindane) at two opposite aromatic rings was described. Due to steric inhibition of the tert-butyl substituents near the merging region with the fenestrindane core, attempts to construct a highly warped but fully conjugated polycyclic aromatic hydrocarbon that contains two cycloheptatriene rings failed to materialize.

  DOI：

  10.1055/s-0035-1561443