4,9,13,18-tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis(4-methylphenyl)pentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene | 350821-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,9,13,18-tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis(4-methylphenyl)pentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene
• CAS: 350821-18-0
• 化学式: C₇₆H₆₂Cl₄
• 分子量: 1117.14
• InChiKey: ZYVRRIOACXTCBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.06
• 重原子数：
  80.0
• 可旋转键数：
  8.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  4,9,13,18-tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis(4-methylphenyl)pentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene 在 氧化亚氮 作用下， 以 四氢呋喃 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Evidence that naphthocyclobutene, phenanthrodicyclobutene, and anthrodicyclobutene derivatives are not contaminated by their cyclobutene ring-opened isomers

  摘要：

  It has not been directly proven that the title cyclobutene derivatives which have an extremely long Csp(3)-Csp(3) bond length of the cyclobutene ring, are not contaminated by their cyclobutene ring-opened isomers. In order to clarify the uncertainties, NO addition experiments were carried out. When the cyclobutene ring is cleaved easily, NO may react with the cyclobutene ring. Although NO did not react with naphthocyclobutene and anthrodicyclobutene derivatives, NO reacted with anthrodicyclobutene derivatives at their central benzene nuclei instead of their cyclobutene rings. These results clearly show that all the cyclobutene derivatives do not exist in an equilibrium with any cyclobutene ring-opened isomer. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01561-1
• 作为产物：
  描述：

  2,3,5,6-四溴对二甲苯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 氯化亚砜 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 25.5h， 生成 4,9,13,18-tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis(4-methylphenyl)pentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene
  参考文献：
  名称：

  Preparation and structural study of naphtho- and anthrocyclobutene derivatives which have extremely long C–C bonds

  摘要：

  1,1,2,2-tetraphenyl-3,8-diiodobuta[b]naphthalene (Ic), 1,1,2,2-(2,2'-biphenyl)-3,8-dibromobuta[b]naphthalene (2b), 1,1,2,2(2,2'-biphenyl)-3,8-diiodobuta[b]naphtha (2c), and 1,1,2,2,6,6,7,7-octaphenyl-3,5,8,10-tetracchloro-4,9-dimenthyldicyclobutaanthracene derivatives (3a-3d) were prepared. X-Ray analysis of Ib, Ic, 2c and 3a showed extremely long C-C bond lengths, 1.712 (5), 1.734 (5), 1.724 (5) and 1.726 (7) Angstrom, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00249-6