Ethyl 3,5-bis(oxan-2-yloxy)benzoate | 945010-73-1

• 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: Ethyl 3,5-bis(oxan-2-yloxy)benzoate
• CAS: 945010-73-1
• 化学式: C₁₉H₂₆O₆
• 分子量: 350.412
• InChiKey: PCLXTZAFVKYYGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 3,5-bis(oxan-2-yloxy)benzoate 在 4-二甲氨基吡啶 、 sodium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 29.0h， 生成 [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,5-bis(oxan-2-yloxy)benzoate
  参考文献：
  名称：

  En route to inherently chiral tetraoxacalix[2]arene[2]triazines

  摘要：

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.129
• 作为产物：
  描述：

  3,5-二羟基苯甲酸 在 硫酸 、 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 Ethyl 3,5-bis(oxan-2-yloxy)benzoate
  参考文献：
  名称：

  基于阴离子-π相互作用的大小可调控的囊泡

  摘要：

  以tetraoxacalix [2] arene [2] triazine为功能化平台，使用片段偶联方案以18％至53％的产率合成了一系列新的两亲性分子。这些两亲分子在THF和水的混合物中自组装成稳定的囊泡，囊泡的表面由缺电子的腔体工程化。各种阴离子能够选择性地影响自组装囊泡的尺寸，以下F的顺序-

  DOI：

  10.1002/chem.201400074

文献信息

• Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion
  作者：Bao-Yong Hou、De-Xian Wang、Hai-Bo Yang、Qi-Yu Zheng、Mei-Xiang Wang

  DOI：10.1021/jo0706168

  日期：2007.7.1

  The upper-rim 1,3-alternate tetraoxacalix[2]arene[2]triazine azacrowns were constructed effectively by macrocyclic condensation reaction of diamines with dichlorinated tetraoxacalix[2]arene[2]triazine intermediates that were synthesized from the stepwise fragment coupling reactions of 3,5-dihydroxybenzoic acid esters with cyanuric chlorides. Because of the formation of conjugation of amino groups with triazine rings, tetraoxacalix[2]arene[2]triazine azacrowns existed in a mixture of syn- and anti-isomeric forms. Both fluorescence titration and H-1 NMR spectroscopic study showed that tetraoxacalix[2]arene[2]triazine azacrowns interacted with fluoride anion, leading to cavity changes of the host molecules.
• MESOGENIC STABILIZERS
  申请人：XU Ruisong

  公开号：US20120003401A1

  公开（公告）日：2012-01-05

  The present invention relates to compounds represented by the following Formula I, in which R 1 -R 6 can each independently be selected from hydrogen or hydrocarbyl (e.g., methyl); L 1 is a divalent linking group, such as a bond or —OC(O)—R 8 —C(O)O—, where R 8 can be divalent hydrocarbyl (e.g., —CH 2 CH 2 —); each L 2 independently represents a flexible segment, such as divalent linear or branched C 1 -C 25 alkyl; each L 3 independently represents a rigid segment including, for example, optionally substituted phenylen-1,4-diyl groups; t is from 1 to 4; m and p are each independently from 0 to 4 for each t, provided that the sum of m and p is at least 1 for each t; and E can be hydrogen or hydrocarbyl. The present invention also relates to compositions, such as liquid crystal compositions, and articles, such as optical elements, that include the compound represented by Formula I.
• US8349210B2
  申请人：——

  公开号：US8349210B2

  公开（公告）日：2013-01-08
• [EN] MESOGENIC STABILIZERS<br/>[FR] STABILISANTS MÉSOGÈNES
  申请人：TRANSITIONS OPTICAL INC

  公开号：WO2013022605A1

  公开（公告）日：2013-02-14

  The present invention relates to compounds represented by the following Formula I, in which R1-R6 can each independently be selected from hydrogen or hydrocarbyl (e.g., methyl); L1 is a divalent linking group, such as a bond or -OC(O)-R8-C(O)O, where R8 can be divalent hydrocarbyl (e.g., -CH2CH2-); each L2 independently represents a flexible segment, such as divalent linear or branched C1-C25 alkyl; each L3 independently represents a rigid segment including, for example, optionally substituted phenylen-1,4-diyl groups; t is from 1 to 4; m and p are each independently from 0 to 4 for each t, provided that the sum of m and p is at least 1 for each t; and E can be hydrogen or hydrocarbyl. The present invention also relates to compositions and articles that include the compound represented by Formula I.
• Size-Regulable Vesicles Based on Anion-π Interactions
  作者：Qing He、Yuchun Han、Yilin Wang、Zhi-Tang Huang、De-Xian Wang

  DOI：10.1002/chem.201400074

  日期：2014.6.10

  yields by using a fragment coupling protocol. These amphiphilic molecules self‐assembled into stable vesicles in a mixture of THF and water, with the surface of the vesicles engineered by electron‐deficient cavities. Various anions are able to selectively influence the size of self‐assembled vesicles, following the order of F−

  以tetraoxacalix [2] arene [2] triazine为功能化平台，使用片段偶联方案以18％至53％的产率合成了一系列新的两亲性分子。这些两亲分子在THF和水的混合物中自组装成稳定的囊泡，囊泡的表面由缺电子的腔体工程化。各种阴离子能够选择性地影响自组装囊泡的尺寸，以下F的顺序-