2-oxocyclohexyl butyrate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-oxocyclohexyl butyrate
• 英文别名: (2-Oxocyclohexyl) butanoate
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: FPZVIRABLKTVID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  sodium butyrate 、 2-氯环己酮 在 丁酸 作用下， 生成 2-oxocyclohexyl butyrate
  参考文献：
  名称：

  Production of esters of hydroxycylohexanones

  摘要：

  公开号：

  US02331329A1

文献信息

• Microwave-Enhanced Coupling of Carboxylic Acids with Liquid Ketones and Cyclic Ethers Using Tetrabutylammonium Iodide/<i>t</i>-Butyl Hydroperoxide
  作者：Pablo Macías-Benítez、F. Javier Moreno-Dorado、Francisco M. Guerra

  DOI：10.1021/acs.joc.0c00519

  日期：2020.5.1

  The oxidative coupling of carboxylic acids with liquid ketones and cyclic ethers has been accomplished in minutes using t-butyl hydroperoxide in the presence of tetrabutylammonium iodide under microwave irradiation in the absence of a solvent. In addition to drastically shortening the reaction times, the use of microwaves resulted, in general, in yields equal to or higher than those obtained by conventional

  在叔丁基碘化铵存在下，在无溶剂的情况下，在微波辐射下，使用叔丁基氢过氧化物在几分钟之内完成了羧酸与液态酮和环醚的氧化偶联。除了大大缩短反应时间之外，使用微波通常还产生等于或高于通过常规加热获得的产率。
• Bicycloloactam compounds, use thereof and intermediates for preparing thereof
  申请人：Taiho Pharmaceutical Company Limited

  公开号：US20020099048A1

  公开（公告）日：2002-07-25

  A bicyclolactam compound of the formula (1) is disclosed, which has an excellent anxiolytic effect, is high in safety, and is useful as an effective component of medicinals which are greatly diminished in side effects such as hypnotic, muscle relaxant and sedative effects 1 A bicyclolactam derivative represented by the following formula (1) is also disclosed, and is useful as an effective component of an anxiolytic agent 2

  公开了一种具有优异的抗焦虑效果、高度安全并且可用作药物有效成分的环状内酰胺化合物，其化学式为（1），该药物成分的副作用如催眠、肌肉松弛和镇静效应等大大降低。同时，还公开了以下化学式（1）所代表的环状内酰胺衍生物，可用作抗焦虑剂的有效成分。
• α-Acyloxylation of Ketones/Cyclic Ethers Mediated by Hypervalent Iodine(III) Reagents as Oxidants and Nucleophilic Sources
  作者：Hao Jia、Nan Li、Chunmei Tang、Wenjing Ni、Xinru Zhao、Jing Sun、Fufang Wu、Xiaobao Shen、Hongbin Zhai

  DOI：10.1021/acs.joc.3c02526

  日期：2024.2.2

  This study describes a catalyst-free α-acyloxylation of ketones and a KBr-mediated α-acyloxylation of cyclic ethers. These conversions are effectively mediated by hypervalent iodine(III) reagents serving dual roles as the oxidant and nucleophilic source. Consequently, esters are produced directly in moderate to excellent yields. The proposed method features good functional group compatibility, a broad

  本研究描述了酮的无催化剂 α-酰氧基化和 KBr 介导的环醚 α-酰氧基化。这些转化由具有氧化剂和亲核源双重作用的高价碘 (III) 试剂有效介导。因此，可以直接以中等至优异的产率生产酯。该方法具有官能团兼容性好、底物范围广、合成效率高、环境友好等特点。
• ANXIOLYTIC AGENT
  申请人：TAIHO PHARMACEUTICAL COMPANY LIMITED

  公开号：EP0713702A1

  公开（公告）日：1996-05-29

  A bicyclolactam derivative represented by general formula (1) and useful as the active ingredient of an anxiolytic agent, wherein R¹ represents hydrogen or hydroxy; R² represents optionally substituted benzoyl; l represents 1 or 2; m represents 0 or 1; and n represents 0, 1 or 2, provided the case where both of m and n represent 0 simultaneously is excluded.

  由通式(1)表示并可用作抗焦虑剂活性成分的双环内酰胺衍生物，其中 R¹ 代表氢或羟基；R² 代表任选取代的苯甲酰基；l 代表 1 或 2；m 代表 0 或 1；n 代表 0、1 或 2，但不包括 m 和 n 同时代表 0 的情况。
• Disperse azo dyes, a process for the preparation thereof and the use thereof
  申请人：Huntsman International LLC

  公开号：US10023742B2

  公开（公告）日：2018-07-17

  The present invention relates to azo dyes of formula wherein R1 denotes C1-C12 alkyl which is unsubstituted or substituted by one or more C1-C12 alkoxy groups, hydroxyl groups, amino groups, cyano groups or halogen atoms and which may be interrupted one or more times by the radical —O—, —S—, —NR4—, —COO— or —OOC—; R4 is hydrogen or C1-C12 alkyl; either R2 is cyano and R3 is halogen or R2 is halogen and R3 is cyano; and Ar represents a carbocyclic or heterocyclic aromatic radical, to the process for the preparation thereof, to mixtures containing said dyes and to the use thereof in dyeing or printing semi-synthetic and especially synthetic hydrophobic fiber materials, more especially textile materials.

  本发明涉及式如下的偶氮染料 式中 R1 表示未被取代或被一个或多个 C1-C12 烷氧基、羟基、氨基、氰基或卤素原子取代的 C1-C12 烷基，且可被基团 -O-、-S-、-NR4-、-COO- 或 -OOC- 中断一次或多次； R4 是氢或 C1-C12 烷基； R2 是氰基，R3 是卤素，或者 R2 是卤素，R3 是氰基；以及 Ar 代表碳环或杂环芳香基、 其制备工艺，含有上述染料的混合物，以及其在半合成，特别是合成疏水性纤维材料，尤其是纺织材料的染色或印花中的用途。