4-n-Octyloxycyclohexanone | 123854-16-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-n-Octyloxycyclohexanone
• 英文别名: 4-octyloxycyclohexanone；4-Octoxycyclohexan-1-one
• CAS: 123854-16-0
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: GBQQASDZEJEAAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-n-Octyloxycyclohexanone 在 乙酸铵 、 氢氧化钾 、 sodium tetrahydroborate 作用下， 以 乙醇 、 苯 为溶剂， 反应 131.0h， 生成 2-(trans-4-n-Octyloxycyclohexyl)malonic acid
  参考文献：
  名称：

  Sugita, Shin-Ichi; Toda, Susumu; Yoshiyasu, Takashi, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1994, vol. 239, p. 113 - 122

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(苄氧基)-4-(辛氧基)苯 在 镍 吡啶 、 重铬酸吡啶 、 氢气 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 25.0~160.0 ℃ 、18.24 MPa 条件下， 反应 12.0h， 生成 4-n-Octyloxycyclohexanone
  参考文献：
  名称：

  A liquid crystalline [3]ferrocenophane

  摘要：

  本文介绍了带有二茂铁单元的液晶的第一个实例。

  DOI：

  10.1039/c39940000365

文献信息

• PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US20190169107A1

  公开（公告）日：2019-06-06

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种简单的生产过程，使用单羟基全氟烷作为起始物质来制备全氟烷基化合物，该全氟烷基化合物是有机电子材料、药物、农药、功能性聚合物材料等的重要中间体。使用单羟基全氟烷与碱反应，再与羰基化合物反应，可以产生具有全氟烷基的醇。例如，可以将氢氧化钾与三氟甲烷相互作用，并诱导与羰基化合物反应，以产生具有三氟甲基基团的醇。
• Temperature-sensitive aliphatic polyesters: synthesis and characterization of γ-substituted caprolactone monomers and polymers
  作者：Jing Hao、John Servello、Prakash Sista、Michael C. Biewer、Mihaela C. Stefan

  DOI：10.1039/c1jm11288k

  日期：——

  Synthesis and ring-opening polymerization of γ-substituted ε-caprolactone monomers containing octyloxy and 2-[2-(2-methoxyethoxy)ethoxy]ethoxy functional groups is reported. An amphiphilic block copolymer containing hydrophobic poly(γ-octyloxy-ε-caprolactone) and hydrophilic polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone} forms micelles in aqueous solution above the critical micellar concentration of 1.74 × 10−3 g L−1. Polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone} and its block copolymer with poly(γ-octyloxy-ε-caprolactone) are thermoresponsive polymers. The LCST measured for polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone} is 47.5 °C, while the LCST decreased to 37.5 °C for the amphiphilic block copolymer polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone}-b-poly(γ-octyloxy-ε-caprolactone).

  报道了含有辛氧基和2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基官能团的γ-取代ε-己内酯单体的合成和开环聚合。含有疏水性聚（γ-辛氧基-ε-己内酯）和亲水性聚γ-2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基-ε-己内酯}的两亲性嵌段共聚物在高于临界胶束浓度的水溶液中形成胶束1.74 × 10 × 3 g L × 1。聚γ-2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基-ε-己内酯}及其与聚(γ-辛氧基-ε-己内酯)的嵌段共聚物是热响应性聚合物。测得的聚γ-2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基-ε-己内酯}的LCST为47.5℃，而两亲性嵌段共聚物聚γ-的LCST降低至37.5℃。 2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基-ε-己内酯}-b-聚(γ-辛氧基-ε-己内酯)。
• A Combined Experimental and Computational Study of the Substituent Effect on Micellar Behavior of γ-Substituted Thermoresponsive Amphiphilic Poly(ε-caprolactone)s
  作者：Jing Hao、Yixing Cheng、R. J. K. Udayana Ranatunga、Suchithra Senevirathne、Michael C. Biewer、Steven O. Nielsen、Qian Wang、Mihaela C. Stefan

  DOI：10.1021/ma400855z

  日期：2013.6.25

  substituent structure on the micellar behavior of thermoresponsive amphiphilic poly(ε-caprolactone) diblock copolymer micelles was investigated through a combination of experimental and computational methods. The polycaprolactone (PCL) amphiphilic block copolymers used in this study consisted of a hydrophilic polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone} block, which also endowed the polymer

  通过实验和计算方法相结合，研究了核心取代基结构对热敏性两亲性聚（ε-己内酯）二嵌段共聚物胶束的胶束行为的影响。这项研究中使用的聚己内酯（PCL）两亲嵌段共聚物由亲水性的聚γ-2-[2-（2-（2-甲氧基乙氧基）乙氧基]乙氧基-ε-己内酯}嵌段组成，这也使聚合物具有热响应性，并且疏水性聚（γ-烷氧基-ε-己内酯）嵌段。五个不同的取代基已连接到疏水性嵌段的ε-己内酯的γ位上，即辛氧基，乙基己氧基，乙氧基，苄氧基和环己氧基甲氧基，它们在水性介质中自组装以产生胶束的核心。所有五种合成的二嵌段共聚物均在水中形成胶束，并在36-39°C的较低临界溶液温度（LCST）下表现出热响应性。研究了不同取代基对胶束性质（如大小，稳定性和相变行为）的影响。还通过采用阿霉素（DOX）作为有效载荷研究了药物的负载和释放特性。分子动力学建模用于预测粒径，自由体积和载药量的变化。发现从分子动力学模拟预测的载药量与实验数
• METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：Kanto Denka Kogyo Co., Ltd.

  公开号：EP3495341A1

  公开（公告）日：2019-06-12

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。
• Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US10450253B2

  公开（公告）日：2019-10-22

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。