3,4-Dinonyloxybenzoic acid | 131525-57-0

• 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-Dinonyloxybenzoic acid
• 英文别名: 3,4-(O(CH2)8CH3)2-benzoic acid；3,4-Di(nonoxy)benzoic acid
• CAS: 131525-57-0
• 化学式: C₂₅H₄₂O₄
• 分子量: 406.606
• InChiKey: SAAJVIPCEOEYLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  29
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-Dinonyloxybenzoic acid 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  The synthesis and mesomorphism of di-, tetra- and hexa-catenar liquid crystals based on 2,2′-bipyridine

  摘要：

  2,2'-联吡啶已知可与多种金属中心配位。本文合成了液晶态的二链（二联）、四链（四联）和六链（六联）联吡啶，并描述了它们的介晶性质。对于四联联吡啶，合成了一系列完整的同系物，从四甲氧基到四十四烷氧基，相图显示了从短链长度的向列相和近晶C相，经过立方相到柱状相的经典演化过程。

  DOI：

  10.1039/a706400d
• 作为产物：
  描述：

  1-溴壬烷 在 盐酸 、 potassium carbonate 作用下， 以 乙醇 、 丁酮 为溶剂， 生成 3,4-Dinonyloxybenzoic acid
  参考文献：
  名称：

  新型氟化N-苯甲酰基硫脲化合物的合成和液晶性能。全氟烷基链对热行为和近晶相稳定性的影响

  摘要：

  设计并制备了一系列新颖的N-苯甲酰基-N'-芳基硫脲衍生物（BTU），其在苯甲酰基单元的末端位置和另一侧的全氟辛基具有不同数目的烷氧基。通过三种技术的组合研究了它们的液晶特性：偏振光学显微镜（POM），差示扫描量热法（DSC）和变温粉末X射线衍射（XRD）。通过热重分析（TG）研究了它们的热稳定性。发现仅具有仅一个烷氧基链连接至苯甲酰基单元1a和1b的化合物，显示出弯曲的介晶行为，并显示出近晶的A和C相。这些中间相的类型和稳定性受烷基链长以及全氟辛基基团的存在的影响。当与全氟烷基类似物相比，全氟烷基链的引入，其澄清和中间相的范围显着增加，几乎达到40°C。在苯甲酰基部分上附加的烷氧基的附着导致清除点的显着降低和介晶特性的抑制。

  DOI：

  10.1016/j.jfluchem.2017.10.008

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。
• Combinatorial synthesis of isoxazole library and their liquid crystalline properties
  作者：Masahiro Tanaka、Takeharu Haino、Keiko Ideta、Kanji Kubo、Akira Mori、Yoshimasa Fukazawa

  DOI：10.1016/j.tet.2006.11.005

  日期：2007.1

  on solid support in a parallel fashion. Highly regioselective 1,3-dipolar cycloaddition of the nitrile oxides to the triple bond of the solid-attached ethynylbenzamides gave isoxazoles on solid support in good yield. Thirty molecules of them exhibited mesomorphic properties. The combination of molecular mechanics calculations and X-ray diffraction experiments of 2g and 3g revealed that the smectic phase

  在固体支持物上通过组合合成以平行方式合成了六种类型的包括60个分子的异恶唑。腈氧化物对与固体连接的乙炔基苯甲酰胺的三键的高度区域选择性的1，3-偶极环加成反应以良好收率得到了在固体载体上的异恶唑。它们的三十个分子表现出介晶性质。分子力学计算和X射线衍射实验的组合2克和3克揭示的近晶相2克有双层结构，而3克呈单层液晶相。与2g和3g的单晶结构相比，它们得到了支持。
• Studies of Mesomorphic Properties of a Series of Bimetallic Os (III,III) Benzoates and Their Polymeric Axial Pyrazine Adducts
  作者：Festus A. S. Fabiyi、Maria Luz Lopez

  DOI：10.1080/15533170802525852

  日期：2008.12.10

  Synthesis, characterization and mesomorphic properties of tetra(alkoxy benzoate)diosminum(III) of the formula Os2(k,l,m-BgOCn)4 (where B is the benzoate group; g is the number of alkoxy chains on the aromatic ring; k, l and m are their positions of attachments; and n is the number of carbon atoms in each alkoxy chain) and their corresponding pyrazine adducts have been carried out. The complexes synthesized

  分子式 Os2(k,l,m-BgOCn)4 的四（烷氧基苯甲酸酯）二恶胺 (III) 的合成、表征和介晶性质（其中 B 是苯甲酸酯基团；g 是芳环上的烷氧基链数； k、l 和 m 是它们的连接位置；n 是每个烷氧基链中的碳原子数）及其相应的吡嗪加合物。合成的配合物是 Os2 (3,4,5-B3OCn)4，n = 2, 10, 16 和 20；Os2(3,4-B2OCn)4 对于 n = 2、9 和 14；Os2(3,5-B2OCn)4 对于 n = 2、10、16 和 20；以及对应的加合物 [Os2(3,4,5-B3OCn)4px]x 用于 n = 2、10、16 和 20；Os2(3,4-B2OCn)4 对于 n = 2、9 和 14；Os2(3,5-B2OCn)4 对于 n = 14、16 和 19。使用元素分析、1H NMR 和 IR 对化合物进行了全面表征。单晶X射线衍射研究证实
• LIQUID PORPHYRIN DERIVATIVE, AND METHOD FOR PRODUCING THE SAME
  申请人：Maruyama Sumio

  公开号：US20110046366A1

  公开（公告）日：2011-02-24

  The present invention is to provide a liquid porphyrin derivative at 25° C. and at temperatures from 26 to 40° C., and a method for producing the same. The liquid porphyrin derivative of the present invention is represented by the following formula (1): wherein M represents 2H (hydrogen atoms) or an atom or compound capable of binding covalently or coordinately to tetraphenylporphyrin; each of R 1 , R 2 , and R 3 independently represents a hydrogen atom, or an alkoxy group having 7 to 14 or 15 carbon atoms represented by OR 4 ; R 4 represents a substituted or unsubstituted alkyl group having 7 to 14 or 15 carbon atoms; and all the R 1 s, all the R 2 s, and all the R 3 s are respectively the same; and there are cases where the R 2 s and the R 3 s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR 4 , and the R 1 s are hydrogen atoms, where the R 1 s and the R 3 s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR 4 , and the R 2 s are hydrogen atoms, where the R 1 s and the R 2 s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR 4 , and the R 3 s are hydrogen atoms, and where the R 1 s, the R 2 s and the R 3 s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR 4 .

  本发明提供了一种在25℃和26℃至40℃温度下的液态卟吩衍生物以及其制备方法。本发明的液态卟吩衍生物由以下式子（1）表示：其中M代表2H（氢原子）或能够共价或配位地结合四苯基卟吩的原子或化合物；每个R1、R2和R3独立地表示氢原子，或由OR4表示的具有7至14或15个碳原子的烷氧基；R4表示具有7至14或15个碳原子的取代或未取代的烷基基团；所有的R1、所有的R2和所有的R3分别相同；有时R2和R3是由OR4表示的具有7至14或15个碳原子的烷氧基，而R1是氢原子；或者R1和R3是由OR4表示的具有7至14或15个碳原子的烷氧基，而R2是氢原子；或者R1和R2是由OR4表示的具有7至14或15个碳原子的烷氧基，而R3是氢原子；或者R1、R2和R3均为由OR4表示的具有7至14或15个碳原子的烷氧基。
• LIQUID PORPHYRIN DERIVATIVE AND METHOD FOR PRODUCING THE SAME
  申请人：Dai Nippon Printing Co., Ltd.

  公开号：EP2253634A1

  公开（公告）日：2010-11-24

  The present invention is to provide a liquid porphyrin derivative at 25 °C and at temperatures from 26 to 40 °C, and a method for producing the same. The liquid porphyrin derivative of the present invention is represented by the following formula (1): wherein M represents 2H (hydrogen atoms) or an atom or compound capable of binding covalently or coordinately to tetraphenylporphyrin; each of R1, R2, and R3 independently represents a hydrogen atom, or an alkoxy group having 7 to 14 or 15 carbon atoms represented by OR4; R4 represents a substituted or unsubstituted alkyl group having 7 to 14 or 15 carbon atoms; and all the R1s, all the R2s, and all the R3s are respectively the same; and there are cases where the R2s and the R3s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR4, and the R1s are hydrogen atoms, where the R1s and the R3s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR4, and the R2s are hydrogen atoms, where the R1s and the R2s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR4, and the R3s are hydrogen atoms, and where the R1s, the R2s and the R3s are the alkoxy groups having 7 to 14 or 15 carbon atoms represented by OR4.

  本发明旨在提供一种在 25℃和 26 至 40℃温度下的液态卟啉衍生物及其生产方法。本发明的液态卟啉衍生物由下式（1）表示： 其中 M 代表 2H（氢原子）或能与四苯基卟啉共价结合或配位结合的原子或化合物； R1、R2 和 R3 各自独立地代表氢原子或由 OR4 代表的具有 7 至 14 或 15 个碳原子的烷氧基； R4 代表具有 7 至 14 或 15 个碳原子的取代或未取代的烷基；且所有 R1、所有 R2 和所有 R3 分别相同；在某些情况下，R2s 和 R3s 是由 OR4 表示的具有 7 至 14 或 15 个碳原子的烷氧基，而 R1s 是氢原子，其中 R1s 和 R3s 是由 OR4 表示的具有 7 至 14 或 15 个碳原子的烷氧基、R2s 为氢原子，其中 R1s 和 R2s 为具有 7 至 14 或 15 个碳原子的烷氧基，由 OR4 表示，R3s 为氢原子，其中 R1s、R2s 和 R3s 为具有 7 至 14 或 15 个碳原子的烷氧基，由 OR4 表示。