4-(4'-heptyloxybenzoyloxy)benzoyl chloride | 82052-55-9

• 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'-heptyloxybenzoyloxy)benzoyl chloride
• 英文别名: 4-(4-Heptyloxy-benzoyloxy)-benzoyl-chlorid；4-(4-heptyloxybenzoyloxy)benzoyl chloride；(4-carbonochloridoylphenyl) 4-heptoxybenzoate
• CAS: 82052-55-9
• 化学式: C₂₁H₂₃ClO₄
• 分子量: 374.864
• InChiKey: HNQJZGZVXNWIRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  26.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(4'-heptyloxybenzoyloxy)benzoyl chloride 在 苯甲醚 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  Langmuir Films of Amphiphilic Crown Ethers

  摘要：

  We have used X-ray reflectivity and grazing-incidence X-ray diffraction to study amphiphilic crown ethers 1 and 2 at the air-water interface. A new synthetic route was employed, which substantially reduced the level of impurities. Unlike previous studies of 1, we saw no evidence of a first-order lying-down to standing-up transition of the alkyl tails. We did observe in both compounds a gradual reorientation of the tails away from the interface as the film was compressed, followed by an irreversible collapse to a multilayer structure. The monolayer films have a fluid-like inplane structure, while the multilayer films are crystalline.

  DOI：

  10.1021/jp990787j
• 作为产物：
  描述：

  4-庚氧基苯甲酰氯 在 氯化亚砜 、 苯甲醚 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 31.0h， 生成 4-(4'-heptyloxybenzoyloxy)benzoyl chloride
  参考文献：
  名称：

  Langmuir Films of Amphiphilic Crown Ethers

  摘要：

  We have used X-ray reflectivity and grazing-incidence X-ray diffraction to study amphiphilic crown ethers 1 and 2 at the air-water interface. A new synthetic route was employed, which substantially reduced the level of impurities. Unlike previous studies of 1, we saw no evidence of a first-order lying-down to standing-up transition of the alkyl tails. We did observe in both compounds a gradual reorientation of the tails away from the interface as the film was compressed, followed by an irreversible collapse to a multilayer structure. The monolayer films have a fluid-like inplane structure, while the multilayer films are crystalline.

  DOI：

  10.1021/jp990787j

文献信息

• New Liquid Crystalline Material Exhibiting a Reentrant Nematic Phase
  作者：Shunsuke Takenaka、Hideyuki Nakai、Shigekazu Kusabayashi

  DOI：10.1080/00268948308075359

  日期：1983.10
• Weissflog, Wolfgang; Pelzl, Gerhard, Zeitschrift fur Chemie, 1982, vol. 22, # 4, p. 142 - 143
  作者：Weissflog, Wolfgang、Pelzl, Gerhard

  DOI：——

  日期：——
• Chiral Smectic *C Mesogens Having Ester and Amide Central Linkages
  作者：R. C. Tandel、R. A. Vora

  DOI：10.1080/15421400801915027

  日期：2008.3.20

  Ten members of a chiral homologous series 4-(4'-n-alkoxy benzoyloxy benzoyl)4''- S- (+) 2-methyl butoxy anilides were synthesized in multiple step synthesis. Series exhibits chiral smectic *C and cholesteric mesophases. In this series, n-propyl to n-dodecyl derivatives exhibit smectic *C and cholesteric mesophases. n-Tetradecyl and n-hexadecyl derivatives exhibit only smectic *C phases. The plot of transition temperatures versus number of carbon atoms in alkoxy chain exhibits odd-even effect for cholestric-isotropic transition temperatures. The effect of amide linkage and chirality is discussed in detail. High-temperature cholestric phases exhibit vivid colors. Two compounds were analyzed by calorimetric study (C12 and C14) to confirm the transition temperatures of which was observed under polarizing microscope. The mesogenic behavior of the series compared with other series where amide central linkage differs in its position. The mesogenic thermal stability is compared with other related homologous series. The result indicates that amide linkage enhances smectic as well as cholesteric thermal stability but enhancement in smectic phase is much higher. Compounds are characterized by elemental analysis, IR spectral data, Mass spectral data, DSC, NMR, and microscopic study.
• XIE, MINGGUI;CHENG, YUYING;QIN, JUN;HONG, FENG;WANG, LIANGYU, SYCHUAN DASYUEH SYUEHBAO. TSZYZHAN KEHSYUEHBAN, 27,(1990) N, S. 112-114
  作者：XIE, MINGGUI、CHENG, YUYING、QIN, JUN、HONG, FENG、WANG, LIANGYU

  DOI：——

  日期：——