4-(四氢-2H-吡喃-2-基氧基)环己酮 | 60739-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 4-(四氢-2H-吡喃-2-基氧基)环己酮
• 英文名称: 4-tetrahydropyranyloxy-1-cyclohexanone
• 英文别名: 4-(tetrahydro-2H-pyran-2-yloxy)cyclohexanone；Cyclohexanone, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-；4-(oxan-2-yloxy)cyclohexan-1-one
• CAS: 60739-53-9
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: NPTPTASEAITCNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(四氢-2H-吡喃-2-基氧基)环己酮 在 硼氘化锂 、 jones' reagent 、 lithium aluminium deuteride 、 氯氟磺酰 、 五氟化锑 、 氟磺酸 、 氢气 作用下， 以 一氟三氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  1-Methyl-1-cyclohexyl cations. Equilibria in search of structures

  摘要：

  DOI：

  10.1021/ja00259a033
• 作为产物：
  描述：

  2-(4,4-Dimethoxycyclohexyl)oxyoxane 以 1,4-二氧六环 、 水 、 二甲基亚砜 为溶剂， 反应 14.0h， 以87%的产率得到4-(四氢-2H-吡喃-2-基氧基)环己酮
  参考文献：
  名称：

  分散在二氧化硅上的氧化锌通过分子氧将丙烯光氧化成氧化丙烯

  摘要：

  分散在二氧化硅上的氧化锌物质与本体 ZnO 表现出不同的 UV-vis 吸收光谱，促进了分子氧对丙烯的选择性光氧化为氧化丙烯。

  DOI：

  10.1246/cl.1999.901

文献信息

• 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts
  申请人：The Upjohn Company

  公开号：US03960961A1

  公开（公告）日：1976-06-01

  This invention relates to novel 4-phenylcyclohexylamines embraced by the formula ##SPC1## Wherein .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof; R is selected from the group consisting of alkyl of from one through four carbon atoms, fluorine, chlorine, bromine, trifluoromethyl, nitro and alkoxy of from one through four carbon atoms; R' and R.sup.1 are selected from the group consisting of hydrogen and alkyl of from one through four carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, alkyl of from one through four carbon atoms, alkanoyl of from one through three carbon atoms, alkylsulfonyl of from one through three carbon atoms, arylsulfonyl of from six through ten carbon atoms, alkylcarbamoyl wherein alkyl is from one through four carbon atoms, alkoxycarbonyl wherein alkyl is from one through four carbon atoms, ring monosubstituted aroylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms and bis (ring monosubstituted) arylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms; R.sup.1 and R.sup.2 when taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and monosubstituted pyrrolidino, piperidino, hexamethylenimino, morpholino and piperazino; and an acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The systemic administration to humans and animals of the novel compounds (1) depresses their central nervous systems.

  这项发明涉及由以下式 embraced 的新型 4-苯基环己胺 ##SPC1## 其中 .about. 是一个通用表达式，表示顺式和反式立体构型及其混合物；R 选自由一至四个碳原子的烷基、氟、氯、溴、三氟甲基、硝基和由一至四个碳原子组成的烷氧基；R' 和 R.sup.1 选自由一至四个碳原子的氢和烷基；R.sup.2 选自由一至四个碳原子的氢、烷基、由一至三个碳原子组成的烷酰基、由一至三个碳原子组成的烷基磺酰基、由六至十个碳原子组成的芳基磺酰基、烷基氨基甲酰，其中烷基由一至四个碳原子组成，烷氧羰基，其中烷基由一至四个碳原子组成，环中单取代芳酰基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子，以及双(环中单取代)芳基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子；当 R.sup.1 和 R.sup.2 与 --N< 结合在一起时，是选自未取代和单取代吡咯烷基、哌啶基、六亚甲基基氮、吗啉基和哌嗪基的饱和杂环氨基基团；以及其酸盐。它还涉及制备上述新型化合物 (1) 及其新型衍生物的中间体和过程。将这些新型化合物 (1) 系统地给人类和动物静脉注射会抑制其中枢神经系统。
• Palladium-Catalyzed Allylic Alkylation of Simple Ketones with Allylic Alcohols and Its Mechanistic Study
  作者：Xiaohong Huo、Guoqiang Yang、Delong Liu、Yangang Liu、Ilya D. Gridnev、Wanbin Zhang

  DOI：10.1002/anie.201403410

  日期：2014.6.23

  Allylic alcohols were directly used in Pd‐catalyzed allylic alkylations of simple ketones under mild reaction conditions. The reaction proceeded smoothly at 20 °C by the concerted action of a Pd catalyst, a pyrrolidine co‐catalyst, and a hydrogen‐bonding solvent, and does not require any additional reagents. A computational study suggested that methanol plays a crucial role in the formation of the

  在温和的反应条件下，烯丙醇直接用于钯催化的简单酮的烯丙基烷基化反应。在20°C下，Pd催化剂，吡咯烷助催化剂和氢键合溶剂的协同作用使反应顺利进行，不需要任何其他试剂。一项计算研究表明，甲醇通过降低活化势垒在π-烯丙基铝配合物的形成中起着至关重要的作用。
• [EN] ETHER DERIVATIVES OF BICYCLIC HETEROARYLS<br/>[FR] DÉRIVÉS ÉTHERS D'HÉTÉROARYLES BICYCLIQUES
  申请人：NOVARTIS AG

  公开号：WO2011029915A1

  公开（公告）日：2011-03-17

  The invention relates to compounds of formula (I), wherein the substituents are as defined in the specification; to processes for the preparation of such compounds; pharmaceutical compositions comprising such compounds; such compounds as a medicament; such compounds for the treatment of a proliferative disease.

  这项发明涉及到式(I)的化合物，其中取代基如规范中所定义；制备这种化合物的方法；包含这种化合物的药物组合物；这种化合物作为药物；这种化合物用于治疗增殖性疾病。
• C–N Bond Cleavage of Allylic Amines via Hydrogen Bond Activation with Alcohol Solvents in Pd-Catalyzed Allylic Alkylation of Carbonyl Compounds
  作者：Xiaohu Zhao、Delong Liu、Hui Guo、Yangang Liu、Wanbin Zhang

  DOI：10.1021/ja209373k

  日期：2011.12.7

  Hydrogen-bond-activated C-N bond cleavage of allylic amines was realized in Pd-catalyzed allylic alkylation to form the C-C bond product. The method could be expanded to a series of allylic amines and carbonyl compounds with excellent results. It provides a new and convenient access to C-C bond formation based on Pd-catalyzed allylic alkylation of allylic amines by using only inexpensive alcohol solvents.

  烯丙胺的氢键活化 CN 键断裂是在 Pd 催化的烯丙基烷基化中实现的，以形成 CC 键产物。该方法可以扩展到一系列烯丙基胺和羰基化合物，并取得了优异的结果。它通过仅使用廉价的醇溶剂，为基于 Pd 催化的烯丙基胺的烯丙基烷基化形成 CC 键提供了一种新的便捷途径。
• FeCl₃·6H₂O/acetaldehyde, a versatile system for the deprotection of ketals and acetals via a transacetalization process
  作者：Lucie Schiavo、Loïc Jeanmart、Steve Lanners、Sabine Choppin、Gilles Hanquet

  DOI：10.1039/c6nj03439j

  日期：——

  Mild and efficient catalytic deprotection of ketals/acetals mediated by FeCl3·6H2O/acetaldehyde has been described in this paper. The versatility and high chemoselectivity of the iron(III)/aldehyde system are demonstrated by a large scope of examples. Deprotected ketones/aldehydes are nearly quantitatively isolated after filtration over a pad of silica gel followed by evaporation of volatile by-products

  本文描述了由FeCl 3 ·6H 2 O /乙醛介导的对缩酮/缩醛的轻度和有效催化脱保护。铁（III）/醛系统的多功能性和高化学选择性通过大量实例证明。在硅胶垫上过滤，然后蒸发掉挥发性副产物后，几乎定量分离了脱保护的酮/醛。