cis-1,2,3,4-tetraphenylcyclopentene | 21145-82-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: cis-1,2,3,4-tetraphenylcyclopentene
• 英文别名: cis-1.2.3.5-Tetraphenyl-cyclopenten-(1)；cis-1,2,3,5-Tetraphenyl-1-cyclopenten
• CAS: 21145-82-4
• 化学式: C₂₉H₂₄
• 分子量: 372.51
• InChiKey: FRPRBFOHKMQDNM-MKPDMIMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.57
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  cis-1,2,3,4-tetraphenylcyclopentene 以 环己烷 为溶剂， 生成 1,3-Diphenyl-2,3-dihydro-1H-cyclopentaphenanthren
  参考文献：
  名称：

  Duerr,H. et al., Chemische Berichte, 1974, vol. 107, p. 1835 - 1855

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,4-Tetraphenyl-2-cyclopenten-1-carbaldehyd 以 苯 为溶剂， 生成 cis-1,2,3,4-tetraphenylcyclopentene
  参考文献：
  名称：

  Duerr,H. et al., Chemische Berichte, 1974, vol. 107, p. 1835 - 1855

  摘要：

  DOI：

文献信息

• Duerr,H., Chemische Berichte, 1968, vol. 101, # 9, p. 3047 - 3057
  作者：Duerr,H.

  DOI：——

  日期：——
• ——
  作者：Franco Benetollo、Vilma Busetti、Franco Marcuzzi

  DOI：10.1023/a:1009566010200

  日期：——

  The crystal structures of two stereoisomers of tetraphenyl- and pentaphenyl-substituted cyclopentenes 1 and 2 have been determined by X-ray analysis. An envelope conformation E-1 has been ascertained for the cis isomer 1a, whereas the cis, cis isomer 2a, which crystallizes in two different space groups, P1, and P2(1)/n, displays a twisted T-2(1) conformation. The phenyl substituents are all tilted with respect to the cyclopentene ring in both structures. Compound 1a crystallizes in the space group P2(1)/a with a = 18.553(3), b = 6.006(2), c = 19.355(5), beta = 102.67(4)degrees, and V = 2104.2(g) Angstrom 3 for Z = 4; compound 2a(1) crystallizes in P21/n with a = 10.064(2), b = 20.756(5), c = 12.245(3) Angstrom, beta = 95.21(2)degrees, and V = 2547(1) Angstrom(3) for Z = 4; compound 2aII crystallizes in P1 with a = 10.117(3), b = 11.750(2), c = 12.359(2) Angstrom, alpha = 111.25(2), beta = 94.84(2), gamma = 108.78(2)degrees, and V = 1262.3(6) Angstrom(3) for Z = 2.