4'-(4-octyloxybenzoyloxy)benzoyl chloride | 82052-56-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4'-(4-octyloxybenzoyloxy)benzoyl chloride
• 英文别名: 4-(Chlorocarbonyl)phenyl 4-(octyloxy)benzoate；(4-carbonochloridoylphenyl) 4-octoxybenzoate
• CAS: 82052-56-0
• 化学式: C₂₂H₂₅ClO₄
• 分子量: 388.891
• InChiKey: WYKWVQWRMDHJIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4'-(4-octyloxybenzoyloxy)benzoyl chloride 在 水 、 四丁基硫酸氢铵 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 [4-[4-[[3-[3-[[4-[4-(4-Octoxybenzoyl)oxybenzoyl]oxyphenyl]methylideneamino]benzoyl]phenyl]iminomethyl]phenoxy]carbonylphenyl] 4-octoxybenzoate
  参考文献：
  名称：

  Synthesis and Characterization of Symmetrical Eight Aromatic Ring Containing Bent-Shaped Material Derived from Benzophenone

  摘要：

  A new family of symmetrical eight aromatic ring-containing bent-shaped mesogens in which the central elbow is a ketone has been synthesized and characterized. The effect of the side chain on the mesomorphism has been studied. All the bent derivatives were found to exhibit mesomorphism. The higher homologues of the series exhibit the B1 phase and the lower homologues of the series show the B6 phase.

  DOI：

  10.1080/15421406.2010.526450
• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 palladium on activated charcoal 五氯化磷 、 氢气 作用下， 以 吡啶 、 氯化亚砜 、 乙醇 、 甲苯 为溶剂， 反应 5.0h， 生成 4'-(4-octyloxybenzoyloxy)benzoyl chloride
  参考文献：
  名称：

  Takenaka, S.; Sakurai, Y.; Takeda, H., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 177, p. 59 - 70

  摘要：

  DOI：

文献信息

• Core-to-core dimers forming switchable mesophase
  作者：M. Horčic、J. Svoboda、V. Novotná、D. Pociecha、E. Gorecka

  DOI：10.1039/c6cc09983a

  日期：——

  We report structurally new type of dimers composed of bent-core molecules connected through their central cores by an alkylene spacer.

  我们报告了由弯曲核心分子通过烷基间隔连接它们的中心核心而组成的新型二聚体。
• Formation of columnar hexagonal mesophases near room temperature from functionalised [9]aneNS2 (1,4-dithia-7-azacyclononane)
  作者：Alexander J. Blake、Duncan W. Bruce、Jonathan P. Danks、Ian A. Fallis、Daniel Guillon、Steven A. Ross、Heiko Richtzenhain、Martin Schröder

  DOI：10.1039/b006753i

  日期：——

  Oligo(benzoate) derivatives, (R)[9]aneNS2, of 1,4-dithia-7-azacyclononane [R = OC-C6H4-4-OR′ (1) [R′ = C3H7 (a) C8H17 (b)], OC-C6H4-4-O2C-C6H4-4-OC8H17 (2), OC-C6H4-4-O2C-C6H4-4-O2C-Z, Z = C6H4-4-OC8H17 (3), C6H3-3,4-(OR′2)2 (4) [R′ = C4H9 (a), C8H17 (b), C12H25 (c)], C6H2-3,4,5-(OC12H25)3 (5)] have been synthesised. Compound 3 displays monotropic nematic and smectic phases, while 5 shows an enantiotropic columnar hexagonal phase (Colh) just above room temperature as characterised by X-ray scattering experiments. Dilatometry suggests a model for the packing of molecules of 5 in the mesophase. An alternative route to these compounds has been developed via the preparation of the protected species 6 [R = OC-C6H4-4-OC(O)OMe], which can be deprotected using aqueous NH3 to give 7 [R = OC-C6H4-4-OH], followed by reaction with the appropriate acid chloride or anhydride. Oligo(benzoate) derivatives, (R)2[9]aneN2S, of 1-thia-4,7-diazacyclononane [R = OC-C6H4-4-OC(O)OMe (8), OC-C6H4-4-OH (9) OC-C6H4-4-O2C-C6H4-4-OC8H17 (10), OC-C6H4-4-O2C-C6H2-3,4,5-(OC12H25)3 (11)] have been prepared as transesterification products.

  寡（苯甲酸酯）衍生物，（R）[9]aneNS2，的1,4-二硫-7-氮杂环壬烷[R = OC-C6H4-4-OR′（1）[R′ = C3H7（a）C8H17（b）]，OC-C6H4-4-O2C-C6H4-4-OC8H17（2），OC-C6H4-4-O2C-C6H4-4-O2C-Z，Z = C6H4-4-OC8H17（3），C6H3-3,4-（OR′2）2（4）[R′ = C4H9（a），C8H17（b），C12H25（c）]，C6H2-3,4,5-（OC12H25）3（5）]已经合成。化合物3显示出单向性的向列相和层状相，而5则在室温以上显示出对映各向异性的六角柱状相（Colh），这一特性通过X射线散射实验得到了表征。膨胀测定法提出了一种模型，用于描述5在介相中分子的堆积方式。通过制备保护性物种6[R = OC-C6H4-4-OC（O）OMe]，然后使用氨水去保护得到7[R = OC-C6H4-4-OH]，再与适当的酰氯或酸酐反应，开发了一种制备这些化合物的替代路线。寡（苯甲酸酯）衍生物，（R）2[9]aneN2S，的1-硫-4,7-二氮杂环壬烷[R = OC-C6H4-4-OC（O）OMe（8），OC-C6H4-4-OH（9）OC-C6H4-4-O2C-C6H4-4-OC8H17（10），OC-C6H4-4-O2C-C6H2-3,4,5-（OC12H25）3（11）]已经作为转酯化产物制备。
• Liquid crystal compound
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0468882A1

  公开（公告）日：1992-01-29

  The invention discloses optically active liquid crystal compounds represented by the formulas [I], [II] and [III]: wherein R₁ and R₂ each represents an alkyl group of 4 - 18 carbon atoms, X represents O, COO or a single bond, and (A), (B), (C), (D) and (E) each in which ℓ represents a halogen. The invention further discloses optically active liquid crystal compounds which are able to exhibit tristable states, represented by the formulas [IV], [V] and [VI]: wherein R₁′ and R₂′ each represents a straight chain alkyl group of 5 - 16 carbon atoms, X′ represents O or COO and (A), (B), (C), (D) and (E), and ℓ each has the same meaning as above.

  本发明公开了由式[I]、[II]和[III]表示的光学活性液晶化合物： 其中 R₁ 和 R₂ 各自代表 4 - 18 个碳原子的烷基，X 代表 O、COO 或单键，以及 (A)、(B)、(C)、(D) 和 (E) 各自 其中 ℓ 代表卤素。 本发明进一步公开了能够呈现三稳态的光学活性液晶化合物，由式[IV]、[V]和[VI]表示： 其中R₁′和R₂′各自代表5-16个碳原子的直链烷基，X′代表O或COO，(A)、(B)、(C)、(D)和(E)以及ℓ各自具有与上述相同的含义。
• 4-acyloxy- and 4-acylaminophthalonitriles and phthalocyanines based thereon
  作者：T. V. Tararykina、V. E. Maizlish、N. E. Galanin、G. P. Shaposhnikov、V. V. Bykova、N. V. Usol’tseva

  DOI：10.1134/s1070428007110231

  日期：2007.11

  Reactions of 4-hydroxy- and 4-aminophthalonitriles with substituted benzoyl chlorides gave the corresponding N- and O-benzoyl derivatives, and the latter were used to obtain copper and nickel phthalocyanine complexes. Effect of the substituents in the latter on their electronic absorption spectra was studied. The obtained complexes were found to undergo association in organic solvents.
• Phthalonitriles containing ester groups and copper phthalocyanines based on them
  作者：T. V. Tikhomirova、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1134/s1070363211040268

  日期：2011.4

  Phthalonitriles containing ester groups were obtained by acylation of 4-hydroxyphthalonitrile and esterification of 4-(p-carboxyphenyloxy)phthalonitriles. On the basis of these phthalonitriles the respective copper phthalocyanines were synthesized. Spectral and some other physical and chemical properties of the synthesized compounds were investigated.