3-丁氧基-6-羟基-1,2-苯二甲腈 | 75941-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-丁氧基-6-羟基-1,2-苯二甲腈
• 英文名称: 4-butoxy-2,3-dicyano phenol
• 英文别名: 3-Butoxy-6-hydroxybenzene-1,2-dicarbonitrile
• CAS: 75941-32-1
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: FQRBSQCQTSDWST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-丁氧基-6-羟基-1,2-苯二甲腈 在 N-碘代丁二酰亚胺 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  [3 + 1] Mixed Cyclization: A Synthetic Route to Prepare Low-Symmetry Phthalocyanines

  摘要：

  DOI：

  10.1021/acs.joc.2c00433
• 作为产物：
  描述：

  正溴丁烷 、 3,6-二羟基邻苯二甲腈 在 18-冠醚-6 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 3-丁氧基-6-羟基-1,2-苯二甲腈
  参考文献：
  名称：

  Synthesis and Property of Dendrimers Having Peripherally Mesogenic Units

  摘要：

  Poly(propyleneimine)-based liquid crystalline dendrimers (DCDs) with a relatively flexible dendritic scaffold were successfully prepared by Michael addition reaction of polypropyleneimine)s to 6-(2,3-dicyano-4-butoxyphenyloxy) hexyl acrylate(4). The structure of DCDs were characterized by IR, NMR and MALDI-TOF mass spectroscopies. Liquid crystallinity were examined by DSC, polarized optical microscope, and X-ray diffraction methods. DCDs exhibited a smectic liquid-crystalline phase, The polar terminal 2,3-dicyanophenylene group gave a liquid crystalline properties to DCDs.

  DOI：

  10.1080/10587250108025066

文献信息

• 2, 3-Dicyanohydroquinone Derivative Liquid Crystals Having Strong Negative Dielectric Anistropy
  作者：T. Inukai、K. Fkurukawa、H. Inoue、K. Terashima

  DOI：10.1080/00268948308084250

  日期：1983.1
• JPS5910557A
  申请人：——

  公开号：JPS5910557A

  公开（公告）日：1984-01-20
• Synthesis and Property of Dendrimers Having Peripherally Mesogenic Units
  作者：Osamu Haba、Ken-Ichi Okuyama、Koichiro Yonetake

  DOI：10.1080/10587250108025066

  日期：2001.8

  Poly(propyleneimine)-based liquid crystalline dendrimers (DCDs) with a relatively flexible dendritic scaffold were successfully prepared by Michael addition reaction of polypropyleneimine)s to 6-(2,3-dicyano-4-butoxyphenyloxy) hexyl acrylate(4). The structure of DCDs were characterized by IR, NMR and MALDI-TOF mass spectroscopies. Liquid crystallinity were examined by DSC, polarized optical microscope, and X-ray diffraction methods. DCDs exhibited a smectic liquid-crystalline phase, The polar terminal 2,3-dicyanophenylene group gave a liquid crystalline properties to DCDs.
• [3 + 1] Mixed Cyclization: A Synthetic Route to Prepare Low-Symmetry Phthalocyanines
  作者：Joseph Y. M. Chan、Dennis K. P. Ng

  DOI：10.1021/acs.joc.2c00433

  日期：2022.6.3