4-n-butoxycyclohexanone | 66227-44-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-n-butoxycyclohexanone
• 英文别名: 4-butoxy-cyclohexanone；4-butoxycyclohexanone；4-Butoxycyclohexan-1-one
• CAS: 66227-44-9
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: VSJFEVDBWCAVMP-UHFFFAOYSA-N

物化性质

• 沸点：
  247.7±33.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 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-butoxycyclohexanone 在 双氧水 、 仲丁基锂 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 、 水 、 甲苯 为溶剂， 反应 24.0h， 生成 4-(4-butoxycyclohexenyl)-2,3-difluorophenol
  参考文献：
  名称：

  TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT

  摘要：

  公开号：

  EP2305627B1
• 作为产物：
  描述：

  4-羟基环己酮乙二醇缩醛 在 盐酸 、 sodium hydride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 、 mineral oil 为溶剂， 反应 1.75h， 生成 4-n-butoxycyclohexanone
  参考文献：
  名称：

  [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS
  [FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE

  摘要：

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。

  公开号：

  WO2017009651A1

文献信息

• Cardiotonic agents. 1-Methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-3(2H)-isoquinolinones and related compounds. Synthesis and activity
  作者：Tatsuo Kaiho、Kunio Sannohe、Seitaro Kajiya、Tsuneji Suzuki、Kengo Otsuka、Toshihiko Ito、Joji Kamiya、Masahiko Maruyama

  DOI：10.1021/jm00122a012

  日期：1989.2

  A series of 1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-3(2H)-isoquinolinones and related compounds were synthesized and evaluated for positive inotropic activity. Most members of this series exerted a dose-dependent increase in myocardial contractility in the dog acute heart failure model, whereas they caused only slight changes in heart rate and blood pressure. Several derivatives, especially those

  合成了一系列的1-甲基-7-（4-吡啶基）-5,6,7,8-四氢-3（2H）-异喹啉酮和相关化合物并评估了其正性肌力活性。该系列的大多数成员在犬急性心力衰竭模型中使心肌收缩力呈剂量依赖性增加，而它们仅引起心率和血压的轻微变化。几种衍生物，特别是那些在4位上具有氰基，乙酰基和乙基取代基的衍生物，比用作参考的米力农更有效。4-乙酰基-1-甲基-7-（4-吡啶基）-5,6,7,8-四氢-3（2H）-异喹啉酮（MS-857）是该系列中最有效的正性肌力药物之一。
• [EN] PENTYLENETETRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PENTYLÈNETÉTRAZOLE
  申请人：BALANCE THERAPEUTICS INC

  公开号：WO2012151343A1

  公开（公告）日：2012-11-08

  Provided are compounds having formula I: ( l ) wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are as disclosed herein, or a pharmaceutically salt thereof. Pharmaceutical compositions comprising the compounds and methods of their use, for instance in treating senility, senile confusion, psychoses, psychoneuroses when anxiety and nervous tension were present, cerebral arteriosclerosis, nausea, depression, fatigue, debilitation, mild behavioral disorders, irritability, emotional instability, antisocial attitudes, anxiety, vertigo or incontinence, or symptom thereof, or in improving cognitive function in individuals, for instance, in individuals with Down syndrome and other conditions, are also provided.

  提供的化合物具有以下式I的结构：( l ) 其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如本文所述，或其药用盐。还提供包含这些化合物的药物组合物及其使用方法，例如用于治疗老年痴呆、老年混淆、精神病、神经症，当焦虑和紧张存在时，脑动脉硬化、恶心、抑郁、疲劳、虚弱、轻微行为障碍、易怒、情绪不稳定、反社会态度、焦虑、眩晕或失禁，或其症状，或用于改善个体的认知功能，例如用于唐氏综合症患者和其他情况的个体。
• 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。
• FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Kobayashi Masahide

  公开号：US20110090450A1

  公开（公告）日：2011-04-21

  The invention provides a liquid crystal compound which has stability to heat, light and so forth, a nematic phase in a wide temperature range, a small viscosity, a large optical anisotropy, and a suitable elastic constant K 33 , and further has a suitable and negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds. Moreover, the invention provides a liquid crystal composition comprising this liquid crystal compound and a liquid crystal display device containing this liquid crystal composition. A liquid crystal compound represented by formula (a): for example, R 1 and R 2 are alkyl having 1 to 10 carbons, alkenyl having 2 to 10 carbons or alkoxy having 1 to 9 carbons; ring A 1 and ring A 2 are 1,4-phenylene or trans-1,4-cyclohexylene; L 1 and L 2 are hydrogen or fluorine, and at least one of L 1 and L 2 is fluorine; and Z 1 and Z 2 are a single bond, —(CH 2 ) 2 —, —CH═CH—, —CH 2 O— or —OCH 2 —.

  本发明提供一种液晶化合物，具有耐热、耐光等稳定性，在广泛的温度范围内具有向列相，粘度小，光学各向异性大，适当的弹性常数K33，进一步具有适当且负的介电各向异性，与其他液晶化合物具有良好的相容性。此外，本发明还提供了包含该液晶化合物的液晶组合物和包含该液晶组合物的液晶显示装置。一种由公式（a）表示的液晶化合物：例如，R1和R2是具有1至10个碳原子的烷基，具有2至10个碳原子的烯基或具有1至9个碳原子的烷氧基；环A1和环A2是1,4-苯撑基或反-1,4-环己撑基；L1和L2是氢或氟，且至少有一个是氟；Z1和Z2是单键，-(CH2)2-，-CH═CH-，-CH2O-或-OCH2-。
• Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device
  申请人：JNC Corporation

  公开号：US08187494B2

  公开（公告）日：2012-05-29

  The invention provides a liquid crystal compound having stability to heat, light and so forth, a wide temperature range of a nematic phase, a small viscosity, a suitable optical anisotropy, and a suitable elastic constant K33, and further having a suitable and negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds, and a liquid crystal composition having stability to heat, light and so forth, a low viscosity, a large optical anisotropy, a suitable and negative dielectric anisotropy, and a suitable elastic constant K33, a low threshold voltage, a high maximum temperature (phase-transition temperature on a nematic phase-isotropic phase) of a nematic phase, and a low minimum temperature of the nematic phase. The liquid crystal compound which has a specific structure having fluorine at a lateral position and also having phenylene in which hydrogen on the benzene ring is replaced by fluorine, and a liquid crystal composition containing the compound are prepared.

  该发明提供了一种具有对热、光等具有稳定性、具有宽温度范围的向列相、具有较小粘度、适当的光学各向异性和适当的弹性常数K33，并且具有适当且负的介电各向异性以及与其他液晶化合物具有良好的相容性的液晶化合物，以及具有对热、光等具有稳定性、低粘度、较大的光学各向异性、适当且负的介电各向异性、适当的弹性常数K33、低阈值电压、高向列相的最高温度（向列相-等向相的相变温度）和低向列相的最低温度的液晶组合物。制备了具有特定结构的液晶化合物，其在侧位具有氟，并且苯环上的氢被氟取代，以及含有该化合物的液晶组合物。