1-(4-dimethylaminophenyl)-1-(4-methoxyphenyl)-2-propyn-1-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-dimethylaminophenyl)-1-(4-methoxyphenyl)-2-propyn-1-ol
• 英文别名: 1-(4-dimethylaminophenyl)-1-(4-methoxyphenyl)prop-2-yn-1-ol；1-[4-(Dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
• 化学式: C₁₈H₁₉NO₂
• 分子量: 281.354
• InChiKey: YJDGWMUFLQRTDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-dimethylaminophenyl)-1-(4-methoxyphenyl)-2-propyn-1-ol 在 aluminum oxide 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 、 甲苯 为溶剂， 反应 2.0h， 生成 2-(4-dimethylaminophenyl)-9-methoxy-2-(4-methoxyphenyl)-5-[1,1-bis(4-methoxyphenyl)-1-hydroxymethyl]-2H-naphtho[1,2-b]pyran
  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

• Direct formation of α,β-unsaturated dithioacetals from diarylpropynols
  作者：Ashley J. Curtis、Christopher D. Gabbutt、B. Mark Heron、Colin Kilner

  DOI：10.1016/j.tetlet.2010.12.021

  日期：2011.2

  The acid-catalysed condensation of a series of 1,1-diarylprop-2-yn-1-ols with 2-thionaphthol unexpectedly gave 3,3-diaryl-1,1-bis(2-naphthylthio)prop-2-enes in good yields via a Meyer–Schuster-type rearrangement.

  一系列1,1-二芳基丙-2-炔-1-醇与2-亚硫酚的酸催化缩合反应出人意料地得到了3,3-二芳基-1,1-双（2-萘硫基）丙-2-烯通过Meyer-Schuster型重排获得良好的产量。
• Photochromic benzodioxine fused naphthopyran compounds, compositions and articles containing those naphthopyran compounds
  申请人：Vision-Ease Lens, Inc.

  公开号：US20030168645A1

  公开（公告）日：2003-09-11

  Benzodioxino-naphtho[1,2-b]pyran compounds having particularly advantageous photochromic properties, such as, high sensitivity/coloration, two distinct absorption bands in the 430-500 nm range and 520-620 nm range of the visible spectrum may be generally described as a naphthopyran having a central nucleus of the formula: 1 wherein F is a 1,4-benzodioxine ring 2 with its 2,3 positions fused to the i, j, or k faces; and R 1 and R 2 are the atoms or groups providing photochromic properties to the naphthopyran

  具有特别优越光致变色性能的苯并二氧杂萘[1,2-b]吡喃化合物，例如高灵敏度/着色度，在可见光谱430-500 nm范围和520-620 nm范围内具有两个明显的吸收带，通常可描述为具有以下公式的中心核的萘吡喃：1其中F是1,4-苯并二氧杂萘环2，其2,3位置与i、j或k面融合；而R1和R2是提供光致变色性能的原子或基团。
• Oxygen-containing heterocyclic fused naphthopyrans
  申请人：Vision-Ease Lens, Inc.

  公开号：US20030092918A1

  公开（公告）日：2003-05-15

  Novel naphthopyrans having an oxygen-containing heterocyclic group F annelated on the f, i, j, or k side of the naphthopyran ring. These naphthopyrans may have the formula (I) presented below: 1 These compounds (I) have interesting photochromic properties. Various organic host materials that contain such compounds are described. Articles such as ophthalmic lenses or other plastic transparencies that incorporate the novel naphthopyran compounds or combinations are enabled.

  具有含氧杂环基团F的新型萘并吡喃化合物，该杂环基团F连接在萘并吡喃环的f、i、j或k侧。这些萘并吡喃化合物的化学式如下：1这些化合物(I)具有有趣的光致变色性质。本文还描述了含有这些化合物的各种有机宿主材料。可以制备包含这些新型萘并吡喃化合物或其组合物的眼镜镜片或其他塑料透明材料等物品。
• Naphthopyrans and phenanthropyrans annelated in C5-C6 with a bicyclic group, and compositions and (co) polymer matrices containing them
  申请人：——

  公开号：US20010039356A1

  公开（公告）日：2001-11-08

  The invention relates to novel naphthopyran- and phenanthropyran-type compounds having a carbobicycle annelated in 5,6- position. These compounds have formula (I) given below: 1 These compounds (I) have interesting photochromic properties. The invention also relates to their preparation, to their applications as photochromes, as well as to the compositions and (co)polymer matrices containing them.

  本发明涉及新型萘并吡喃类和苯并吡喃类化合物，这些化合物在 5,6- 位具有环化碳酰基。这些化合物的式 (I) 如下： 1 这些化合物（I）具有有趣的光致变色特性。本发明还涉及它们的制备、作为光致变色剂的应用以及含有它们的组合物和（共）聚合物基质。
• JP5656364
  申请人：——

  公开号：——

  公开（公告）日：——