3,4-Bis(heptyloxy)benzoyl chloride | 134766-00-0

• 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: 3,4-Bis(heptyloxy)benzoyl chloride
• 英文别名: 3,4-diheptoxybenzoyl chloride
• CAS: 134766-00-0
• 化学式: C₂₁H₃₃ClO₃
• 分子量: 368.944
• InChiKey: QXOVHBFCCIJXOY-UHFFFAOYSA-N

物化性质

• 沸点：
  464.9±25.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-Bis(heptyloxy)benzoyl chloride 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 生成 4-aminophenyl 3,4-bis(heptyloxy)benzoate
  参考文献：
  名称：

  Destrade, C.; Tinh, Nguyen Huu; Roubineau, A., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 159, p. 163 - 172

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-bis(heptyloxy)benzoic acid 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 3,4-Bis(heptyloxy)benzoyl chloride
  参考文献：
  名称：

  具有离子电导率和固态发光的铜(I)配合物柱状液晶

  摘要：

  通过用苯甲酰硫脲（BTU，N-（ 3,4-二庚氧基苯甲酰基)-N'-(4-十七氟辛基苯基)硫脲)配体在乙醇中。这两种铜 (I) 配合物显示出二维超分子结构、液晶、发射和一维离子传导特性的非常有趣的组合。它们的化学结构基于 ESI-MS、元素分析、IR 和 NMR 光谱（1H 和 13C），同时通过差示扫描量热法 (DSC)、偏振光学显微镜 (POM) 和粉末 X 射线衍射 (XRD)。这些新的铜 (I) 配合物具有介晶特性，并在超过 100 K 的大温度范围内呈现六方柱状中间相，DSC 研究和 POM 观察证明了这一点。热重分析 (TG) 表明这些样品在达到各向同性温度和液晶相存在的整个温度范围内都具有非常好的热稳定性。两种配合物均显示固态发射，在环境温度下量子产率高达 8%。通过变温介电谱在液晶相的整个温度范围内研究了新型金属致晶剂的电学性质。结果发现，液晶相有利于由铜 (I) 络合物中苯甲酰硫脲配体的

  DOI：

  10.3390/molecules28104196

文献信息

• Tailoring thermotropic cubic mesophases: amphiphilic polyhydroxy derivatives
  作者：Konstanze Borisch、Siegmar Diele、Petra Göring、Horst Kresse、Carsten Tschierske

  DOI：10.1039/a705359b

  日期：——

  Novel amphiphilic polyhydroxy compounds [N-(3,4-dialkoxybenzoyl)-1-amino-1-deoxy-d-glucitols (glucamides), N-(3,4-dialkoxybenzoyl)-1-deoxy-1-methylamino-d-glucitols, N-(3,4,5-trialkoxybenzoyl)-1-deoxy-1-methylamino-d-glucitols (N-methylgucamides), 1-benzoylaminopropane-2,3-diols, 2-benzoylaminopropane-1,3-diols, 2-(3,4,5-tridodecyloxybenzoylamino)-2-(hydroxymethyl)propane-1,3-diol and (3,4,5-tridodecyloxybenzoyl)bis(2,3-dihydroxypropyl)amine] have been synthesized. Their thermotropic liquid crystalline phases were investigated by means of polarizing microscopy, differential scanning calorimetry and X-ray diffraction. Depending on the chain length, and the size of the hydrophilic polyhydroxy units, different mesophases have been found: smectic A phases (SA), inverted bicontinuous cubic phases (CubV2 , Ia3d), hexagonal columnar phases (ColH2) and micellar cubic mesophases (CubI2 , Pn3m or P43n). In strong analogy to lyotropic systems, the type of thermotropic mesophase depends on the ratio between the volume of the lipophilic moiety and the surface area of the hydrophilic moiety at the hydrophilic–lipophilic interface. The crossing from zero interface curvature (SA phase) to the finite negative curvature of the inverted cylindrical aggregates of the columnar mesophase takes place via bicontinuous cubic mesophases. The cylindrical aggregates of the columnar mesophase are stable over a rather broad range of variation of the structural parameter. At a certain degree of the size of the lipophilic moiety in respect to the surface area of the hydrophilic group, however, the transition from the hexagonal columnar to a micellar cubic mesophase takes place. On the basis of proton conductivity measurements and from packing considerations we propose that this cubic lattice is built up by eight closed micelles per unit cell which have a rod-like shape and represent small segments of extended columns. Therefrom we can propose a model for the transformations between these different thermotropic mesophases.

  新型两亲聚羟基化合物[N-(3,4-二烷氧基苯甲酰)-1-氨基-1-脱氧-d-葡萄糖醇（葡萄糖酰胺）、N-(3,4-二烷氧基苯甲酰)-1-脱氧-1-甲基氨基-d-葡萄糖醇、N-(3,4,5-三烷氧基苯甲酰)-1-脱氧-1-甲基氨基-d-葡萄糖醇（N-甲基葡萄糖酰胺）、1-苯甲酰氨基-丙烷-2,3-二醇、2-苯甲酰氨基-丙烷-1,3-二醇、2-(3,4,5-三十二烷氧基苯甲酰氨基)-2-(羟甲基)丙烷-1,3-二醇以及(3,4,5-三十二烷氧基苯甲酰)双(2,3-二羟基丙基)胺]已被合成。通过偏光显微镜、差示扫描量热法和X射线衍射法研究了它们的热致液晶相。根据链长和亲水性聚羟基单元的大小，发现了不同的介相：斜方相（SA）、倒置双连续立方相（CubV2，Ia3d）、六角柱相（ColH2）和胶束立方介相（CubI2，Pn3m或P43n）。与液晶系统非常相似，热致介相的类型取决于亲脂部分的体积与亲水部分在亲水-亲脂界面的表面积之间的比率。从零界面曲率（SA相）到柱状介相的有限负曲率倒置圆柱聚集体的过渡，通过双连续立方介相进行。柱状介相的圆柱聚集体在结构参数变化的较宽范围内是稳定的。然而，在亲脂部分与亲水基团表面积的某个比率下，发生从六角柱相到胶束立方介相的转变。根据质子导电性测量和包装考虑，我们提出该立方格子由每个单元格的八个闭合胶束构成，这些胶束呈杆状，代表扩展柱的小段。由此，我们可以提出一个不同热致介相之间转变的模型。
• Pyridinium compounds which are useful as antagonists of platelet
  申请人：American Cyanamid Company

  公开号：US05208247A1

  公开（公告）日：1993-05-04

  The invention is aryl, amide, imide and carbamate pyridine antagonists of platelet activating factor.

  这项发明是关于芳基、酰胺、亚酰胺和氨基甲酸酯吡啶对血小板活化因子的拮抗剂。
• Aryl pyridinium compounds which are useful in treating shock
  申请人：American Cyanamid Company

  公开号：US05328921A1

  公开（公告）日：1994-07-12

  The invention is aryl, amide, imide and carbamate pyridine antagonists of platelet activating factor.

  这项发明是关于芳基、酰胺、亚酰胺和氨基甲酸酯吡啶类抗血小板活化因子拮抗剂。
• Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0530444A1

  公开（公告）日：1993-03-10

  Pyridine derivatives of the general formula wherein:    X is a divalent radical of: are PAF antagonists. Processes for their preparation and pharmaceutical compositions containing them are also included.

  通式如下的吡啶衍生物 其中 X 是下列物质的二价基 是 PAF 拮抗剂。它们的制备方法和含有它们的药物组合物也包括在内。
• Analogs of platelet activating factor. 8. Antagonists of PAF containing an aromatic ring linked to a pyridinium ring
  作者：Michael P. Trova、Allan Wissner、Marion L. Carroll、Suresh S. Kerwar、Walter C. Pickett、Robert E. Schaub、Lawrence W. Torley、Constance A. Kohler

  DOI：10.1021/jm00057a008

  日期：1993.3

  A series of platelet activating factor (PAF) antagonists containing a quaternary pyridinium ring connected through an amide, imide, or carbamate linkage to a substituted aromatic ring was prepared. Of these compounds, those containing a branched imide linkage of the form (CON-(COCH3)CH2, 37-51, and 59) generally showed excellent PAF antagonist properties in vitro. Structure-activity relationships within this series of compounds were studied extensively with respect to substituents and the position of substitution in both the aromatic and pyridinium rings. Several of these compounds (40 and 44) showed in vitro PAF antagonism at less than 0.1 muM and are as potent as CV-6209, the most potent PAF antagonist reported in the literature. Less active PAF antagonists were those bearing simple amide linkages (20-23, 27-29, and 31-35), linear imide linkages (62-63), or carbamate linkages (66 and 68), between the two aromatic rings. A number of our PAF antagonists were tested in vivo in mice and rabbits for their ability to protect these animals against a lethal injection of PAF. Those antagonists that are particularly potent (IC50 <0.1 muM) provide excellent protection against an LD97 dose of PAF in rabbits. The relationships between structure and activity in vitro and in vivo are presented and compared to literature standards.