2-(2-甲基-1,1-二苯基-2-丙烯基)-1,1-二苯基环丙烷 | 118318-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-甲基-1,1-二苯基-2-丙烯基)-1,1-二苯基环丙烷
• 英文名称: 2-(2-Methyl-1,1-diphenyl-2-propenyl)-1,1-diphenylcyclopropane
• 英文别名: [1-(2,2-Diphenylcyclopropyl)-2-methyl-1-phenylprop-2-enyl]benzene；[1-(2,2-diphenylcyclopropyl)-2-methyl-1-phenylprop-2-enyl]benzene
• CAS: 118318-11-9
• 化学式: C₃₁H₂₈
• 分子量: 400.563
• InChiKey: GIAKBMPFYDIFCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-(2-甲基-1,1-二苯基-2-丙烯基)-1,1-二苯基环丙烷 在 氨 、 lithium 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以85%的产率得到2-methyl-3,3,6,6-tetraphenyl-1-hexene
  参考文献：
  名称：

  An assortment of highly unusual rearrangements in the photochemistry of vinylcyclopropanes. Mechanistic and exploratory organic photochemistry

  摘要：

  DOI：

  10.1021/ja00185a033
• 作为产物：
  描述：

  2,2-二甲基-1,1-二苯基-3-(2,2-二苯基乙烯基)环丙烷 以 叔丁醇 为溶剂， 反应 1.0h， 以16.6%的产率得到5-甲基-1,1,4,4-四苯基-1,5-己二烯
  参考文献：
  名称：

  An assortment of highly unusual rearrangements in the photochemistry of vinylcyclopropanes. Mechanistic and exploratory organic photochemistry

  摘要：

  DOI：

  10.1021/ja00185a033

文献信息

• Photochemistry of Organic Molecules Entwined in Spiderwebs; The Use of Poly(methyl methacrylate) Glass for Restricting Excited-State Motion
  作者：Howard E. Zimmerman、Michael E. O'Brien

  DOI：10.1021/jo00086a036

  日期：1994.4

  A study of several unimolecular photochemical rearrangements in poly(methyl methacrylate) glass was carried out with the intent of comparing the behavior of excited-state species trapped in a polymer matrix with both the corresponding solution photochemistry and that in crystal lattices. Three reactants were studied: (a) 4,5,5-triphenylcyclohex-2-en-1-one, (b) 1,1-dicyano-3,3,5,5-tetraphenyl-1,4-pentadiene, and (c) 2,2-dimethyl-1,1-diphenyl-3-(2,2-diphenyl)cyclopropane. The solution photochemistry of the three compounds had previously been studied in our laboratory, and the photochemistry in the crystal lattice had been similarly investigated for the first two. The crystal lattice photochemistry of the last of the three was investigated in the present study. For each of the three reactants; different photochemical behavior was observed depending on the environment-polymer glass, solution, or crystal lattice. The experimental behavior correlated nicely with theoretical assessment of molecular motion of the component atoms in proceeding onward from that point along the reaction coordinate where multiple reaction pathways are available. The preferred reaction pathway proved consistently to require the least motion and the minimum molecular volume displacement. A concept of least motion dependent on its application to the ''branch point'' rather than the entire conversion of reactant to product was established.
• An assortment of highly unusual rearrangements in the photochemistry of vinylcyclopropanes. Mechanistic and exploratory organic photochemistry
  作者：Howard E. Zimmerman、Frank L. Oaks、Pedro Campos

  DOI：10.1021/ja00185a033

  日期：1989.2