3,7-dimethoxy-11,11,12-tris(4-methoxyphenyl)-11Hbenzo[5,6]pentaleno[1,2-b]naphthalene-5-one | 1259944-71-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,7-dimethoxy-11,11,12-tris(4-methoxyphenyl)-11Hbenzo[5,6]pentaleno[1,2-b]naphthalene-5-one
• 英文别名: 2,10-dimethoxy-5,6,6-tris(4-methoxyphenyl)benzo[5,6]pentaleno[1,2-b]naphthalen-12(6H)-one；5,17-Dimethoxy-9,11,11-tris(4-methoxyphenyl)pentacyclo[10.8.0.02,10.03,8.014,19]icosa-1,3(8),4,6,9,12,14(19),15,17-nonaen-20-one；5,17-dimethoxy-9,11,11-tris(4-methoxyphenyl)pentacyclo[10.8.0.02,10.03,8.014,19]icosa-1,3(8),4,6,9,12,14(19),15,17-nonaen-20-one
• CAS: 1259944-71-2
• 化学式: C₄₃H₃₄O₆
• 分子量: 646.739
• InChiKey: HQMYXSMQAOHDHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,1-双(4-甲氧基苯基)-2-丙炔-1-醇 在 aluminum oxide 、 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 、 甲苯 为溶剂， 反应 22.0h， 生成 3,7-dimethoxy-11,11,12-tris(4-methoxyphenyl)-11Hbenzo[5,6]pentaleno[1,2-b]naphthalene-5-one
  参考文献：
  名称：

  The intramolecular capture of thermally generated merocyanine dyes derived from naphthopyrans: Photochromism of 5-(diarylhydroxymethyl)-2H-naphtho[1,2-b]pyrans

  摘要：

  A series of 2H-naphtho[1,2-b]pyrans bearing a diarylmethanol unit at C-5 have been synthesised by the addition of an excess of an aryllithium reagent to alkyl 2H-naphtho[1,2-b]pyran-5-carboxylate precursors. These naphthopyrans show photochromism when exposed to ultraviolet Irradiation and also generate intense colours at low pH through triarylmethine cation generation. However, photochromism of the triarylmethine cation derived from the naphthopyran unit could not be detected. An irreversible cascade process initiated by the thermally-induced ring-opening of the diarylmethanol substituted 2H-naphtho[1,2-b]pyrans in the presence of an acid catalyst afforded novel benzopentalenonaphthalenone dyes. (C) 2011 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.07.004

文献信息

• Benzopentalenonaphthalenones from the intramolecular capture of a merocyanine derived from a naphthopyran
  作者：Christopher D. Gabbutt、B. Mark Heron、Colin Kilner、Suresh B. Kolla

  DOI：10.1039/c0cc02986f

  日期：——

  Novel, highly coloured benzopentalenonaphthalenones result from a cascade process initiated by the thermally-induced ring-opening of diarylmethanol substituted 2H-naphtho[1,2-b]pyrans in the presence of acid.

  新型、色彩鲜艳的苯并戊二萘并酮类化合物是通过在酸性条件下，由热引发的双芳基甲醇取代的2H-萘并[1,2-b]吡喃环开环引发的级联过程产生的。
• The intramolecular capture of thermally generated merocyanine dyes derived from naphthopyrans: Photochromism of 5-(diarylhydroxymethyl)-2H-naphtho[1,2-b]pyrans
  作者：Christopher D. Gabbutt、Lucy V. Gibbons、B. Mark Heron、Suresh B. Kolla

  DOI：10.1016/j.dyepig.2011.07.004

  日期：2012.3

  A series of 2H-naphtho[1,2-b]pyrans bearing a diarylmethanol unit at C-5 have been synthesised by the addition of an excess of an aryllithium reagent to alkyl 2H-naphtho[1,2-b]pyran-5-carboxylate precursors. These naphthopyrans show photochromism when exposed to ultraviolet Irradiation and also generate intense colours at low pH through triarylmethine cation generation. However, photochromism of the triarylmethine cation derived from the naphthopyran unit could not be detected. An irreversible cascade process initiated by the thermally-induced ring-opening of the diarylmethanol substituted 2H-naphtho[1,2-b]pyrans in the presence of an acid catalyst afforded novel benzopentalenonaphthalenone dyes. (C) 2011 Elsevier Ltd All rights reserved.