2,12-bis(pentafluorophenyl)-7-(2,4-dimethyl)phenyl-5,6,8,9-tetrahydro-dibenzo[c,h]acridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,12-bis(pentafluorophenyl)-7-(2,4-dimethyl)phenyl-5,6,8,9-tetrahydro-dibenzo[c,h]acridine
• 英文别名: 13-(2,4-Dimethylphenyl)-6,20-bis(2,3,4,5,6-pentafluorophenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene；13-(2,4-dimethylphenyl)-6,20-bis(2,3,4,5,6-pentafluorophenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
• 化学式: C₄₁H₂₃F₁₀N
• 分子量: 719.624
• InChiKey: PSSPKPWEDKWHIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  52
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,12-dibromo-7-(2,4-dimethyl)phenyl-5,6,8,9-tetrahydro-dibenzo[c,h]acridine 、 六氟苯 在 叔丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 84.5h， 以22%的产率得到2,12-bis(pentafluorophenyl)-7-(2,4-dimethyl)phenyl-5,6,8,9-tetrahydro-dibenzo[c,h]acridine
  参考文献：
  名称：

  Synthesis of molecular tweezers bearing pentafluorophenyl and several pendant aryl groups

  摘要：

  A molecular tweezer bearing two pentafluorophenyl groups 2b and its o-methylated aryl homologue 2c were newly synthesized by the slight modification of the known procedure. The low yield in the introduction of pentafluorophenyl group to the precursor dibromide 6 was improved by application of the modified Suzuki-Miyaura coupling reaction using C6F5B(OH)(2) with Pd-2(dba)(3)/P(t-Bu)(3)/CsF/Ag2O catalytic system, which was recently developed by us. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.12.007

文献信息

• Synthesis of molecular tweezers bearing pentafluorophenyl and several pendant aryl groups
  作者：Toshinobu Korenaga、Takahiro Kosaki、Yusuke Kawauchi、Tadashi Ema、Takashi Sakai

  DOI：10.1016/j.jfluchem.2005.12.007

  日期：2006.5

  A molecular tweezer bearing two pentafluorophenyl groups 2b and its o-methylated aryl homologue 2c were newly synthesized by the slight modification of the known procedure. The low yield in the introduction of pentafluorophenyl group to the precursor dibromide 6 was improved by application of the modified Suzuki-Miyaura coupling reaction using C6F5B(OH)(2) with Pd-2(dba)(3)/P(t-Bu)(3)/CsF/Ag2O catalytic system, which was recently developed by us. (C) 2006 Elsevier B.V. All rights reserved.