tetrakis(3-hydroxy-3,3-di-p-tolyl-1-propynyl)-p-xylene | 350821-27-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: tetrakis(3-hydroxy-3,3-di-p-tolyl-1-propynyl)-p-xylene
• 英文别名: 1,1-Bis(4-methylphenyl)-3-[2,4,5-tris[3-hydroxy-3,3-bis(4-methylphenyl)prop-1-ynyl]-3,6-dimethylphenyl]prop-2-yn-1-ol；1,1-bis(4-methylphenyl)-3-[2,4,5-tris[3-hydroxy-3,3-bis(4-methylphenyl)prop-1-ynyl]-3,6-dimethylphenyl]prop-2-yn-1-ol
• CAS: 350821-27-1
• 化学式: C₇₆H₆₆O₄
• 分子量: 1043.36
• InChiKey: KOPDEONWVXZXMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.3
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(3-hydroxy-3,3-di-p-tolyl-1-propynyl)-p-xylene 在 氯化亚砜 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 1.5h， 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
• 作为产物：
  描述：

  2,3,5,6-四溴对二甲苯 、 1,1-双(4-甲基苯基)-2-丙炔-1-醇 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 反应 24.0h， 以58%的产率得到tetrakis(3-hydroxy-3,3-di-p-tolyl-1-propynyl)-p-xylene
  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

文献信息

• Preparation and structural study of naphtho- and anthrocyclobutene derivatives which have extremely long C–C bonds
  作者：Koichi Tanaka、Naohide Takamoto、Yosuke Tezuka、Masako Kato、Fumio Toda

  DOI：10.1016/s0040-4020(01)00249-6

  日期：2001.4

  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.