dibenzo[d,f][1,3]dioxepin-1,1'-diol | 189299-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: dibenzo[d,f][1,3]dioxepin-1,1'-diol
• 英文别名: dibenzo[d,f][1,3]dioxepin 1,11-diol；Benzo[d][1,3]benzodioxepine-1,11-diol
• CAS: 189299-65-8
• 化学式: C₁₃H₁₀O₄
• 分子量: 230.22
• InChiKey: GGMSCDNPXOPBOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dibenzo[d,f][1,3]dioxepin-1,1'-diol 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 48.33h， 生成 2-sulfanyl-6H-dibenzo[d,f]1,3-dioxepane-1,11-diol
  参考文献：
  名称：

  6,6'-桥接的对映异构联苯中的扭转角控制了邻苯二甲酰亚胺亚磺酰氯的亲电取代

  摘要：

  邻苯二甲酰亚胺亚磺酰氯与2,2'，6,6'-羟基联苯的反应允许制备3-和/或3,3'- N-硫代邻苯二甲酰亚胺衍生物，其可以容易地转化成相应的硫醇和/或二硫化物。根据联苯单元上的取代基和6,6'桥的长度，可以预测单或双取代以及亚磺酰基化的区域化学。

  DOI：

  10.1016/s0040-4020(03)00178-9
• 作为产物：
  描述：

  二碘甲烷 、 2,2’,6,6’-四氢xy-1,1’-亚苯 在 potassium carbonate 作用下， 生成 dibenzo[d,f][1,3]dioxepin-1,1'-diol
  参考文献：
  名称：

  Two new efficient preparations of enantiopure 2,2′-dihydroxy-6,6′-dimethoxy-1,1′-biphenyl

  摘要：

  Two new useful methods for the preparation of diol 1 starting from available compounds are described. Separation of the two enantiomers entails resolution of racemic diol 1 via the corresponding diastereomeric N-methylated phosphorothioamidates. Their separation by recrystallization followed by reduction afforded diol (aS)-1 and (aR)-1 in 100% and 72% ee, respectively. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00021-9

文献信息

• Tetraoxybiphenyl Ester Chiral Dopants for Cholesteric Liquid Crystal Displays
  申请人：Diehl Donald R.

  公开号：US20120273725A1

  公开（公告）日：2012-11-01

  A liquid crystal composition comprising a chiral dopant compound represented by the following formula: wherein: R1, R2 are independently aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl, alkaryl or heterocyclic all either substituted or unsubstituted, or combine to form a carbocyclic or heterocyclic ring; R3 and R4 are independently hydrogen, halogen, cyano, alkoxy, NHCOR7, NHSO2R7, COOR7, OCOR7, aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl, alkaryl or heterocyclic all either substituted or unsubstituted, or combine with either R1 or R2 to form a carbocylic or heterocyclic ring; R5 and R6 are independently hydrogen, CH2, CH, alkyl or aryl either substituted or unsubstituted, COOR7, or combine with L to form a carbocyclic or heterocyclic ring; R7 is aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl or heterocyclic all either substituted or unsubstituted; L is the non-metallic elements required to form a carbocyclic or heterocyclic ring, or a single bond or a double bond; m is 1-3; n is 0-12.

  一种液晶组合物，包括由以下式表示的手性掺杂剂化合物： 其中：R1，R2独立地为芳基，烷基，烯基，环烷基，烷氧基芳基，烷基芳基或杂环基，均为取代或未取代，或结合形成碳环或杂环；R3和R4独立地为氢，卤素，氰基，烷氧基，NHCOR7，NHSO2R7，COOR7，OCOR7，芳基，烷基，烯基，环烷基，烷氧基芳基，烷基芳基或杂环基，均为取代或未取代，或与R1或R2之一结合形成碳环或杂环；R5和R6独立地为氢，CH2，CH，烷基或芳基，均为取代或未取代，COOR7，或与L结合形成碳环或杂环；R7为芳基，烷基，烯基，环烷基，烷氧基芳基或杂环基，均为取代或未取代；L为形成碳环或杂环所需的非金属元素，或单键或双键；m为1-3；n为0-12。
• [EN] TETRAOXYBIPHENYL ESTER CHIRAL DOPANTS FOR CHOLESTERIC LIQUID CRYSTAL DISPLAYS<br/>[FR] DOPANTS CHIRAUX ESTERS TÉTRAOXYBIPHÉNYLÉS POUR DES DISPOSITFS D'AFFICHAGE À CRISTAUX LIQUIDES CHOLESTÉRIQUES
  申请人：KENT DISPLAYS INC

  公开号：WO2012149124A2

  公开（公告）日：2012-11-01

  A liquid crystal composition comprising a chiral dopant compound represented by the following formula: wherein: Rl, R2 are independently aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl, alkaryl or heterocyclic all either substituted or unsubstituted, or combine to form a carbocyclic or heterocyclic ring; R3 and R4 are independently hydrogen, halogen, cyano, alkoxy, NHCOR7, NHS02R7, COOR7, OCOR7, aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl, alkaryl or heterocyclic all either substituted or unsubstituted, or combine with either Rl or R2 to form a carbocylic or heterocyclic ring; R5 and R6 are independently hydrogen, CH2, CH, alkyl or aryl either substituted or unsubstituted, COOR7, or combine with L to form a carbocyclic or heterocyclic ring; R7 is aryl, alkyl, alkenyl, cycloalkyl, alkoxyaryl or heterocyclic all either substituted or unsubstituted; L is the non-metallic elements required to form a carbocyclic or heterocyclic ring, or a single bond or a double bond; m is 1-3; n is 0-12.
• Two new efficient preparations of enantiopure 2,2′-dihydroxy-6,6′-dimethoxy-1,1′-biphenyl
  作者：Giovanna Delogu、Davide Fabbri

  DOI：10.1016/s0957-4166(97)00021-9

  日期：1997.3

  Two new useful methods for the preparation of diol 1 starting from available compounds are described. Separation of the two enantiomers entails resolution of racemic diol 1 via the corresponding diastereomeric N-methylated phosphorothioamidates. Their separation by recrystallization followed by reduction afforded diol (aS)-1 and (aR)-1 in 100% and 72% ee, respectively. (C) 1997 Elsevier Science Ltd.
• Torsional angles in 6,6′-bridged atropoisomeric biphenyls control the electrophilic substitution with phthalimidesulfenyl chloride
  作者：Giovanna Delogu、Davide Fabbri、Stefano Menichetti、Cristina Nativi

  DOI：10.1016/s0040-4020(03)00178-9

  日期：2003.3

  The reaction of phthalimidesulfenyl chloride with 2,2′,6,6′-hydroxylated biphenyls allowed the preparation of 3- and/or 3,3′-N-thiophthalimide derivatives which can be easily transformed into the corresponding thiols and/or disulfides. Mono- or bis-substitution, as well as the regiochemistry of the sulfenylation, are predictable as a function of the substituents on the biphenyl unit and the length

  邻苯二甲酰亚胺亚磺酰氯与2,2'，6,6'-羟基联苯的反应允许制备3-和/或3,3'- N-硫代邻苯二甲酰亚胺衍生物，其可以容易地转化成相应的硫醇和/或二硫化物。根据联苯单元上的取代基和6,6'桥的长度，可以预测单或双取代以及亚磺酰基化的区域化学。