4-[5-(benzyloxy)pyridin-2-yl]cyclohexanone | 713526-69-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[5-(benzyloxy)pyridin-2-yl]cyclohexanone
• 英文别名: 4-(5-phenylmethoxypyridin-2-yl)cyclohexan-1-one
• CAS: 713526-69-3
• 化学式: C₁₈H₁₉NO₂
• 分子量: 281.354
• InChiKey: WSNQRWNNPNVZRW-UHFFFAOYSA-N

物化性质

• 沸点：
  463.1±45.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[5-(benzyloxy)pyridin-2-yl]cyclohexanone 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 palladium on activated charcoal 、 氢气 、 potassium acetate 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 121.5h， 生成 Methyl 2-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]cyclohexyl]acetate
  参考文献：
  名称：

  IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS

  摘要：

  公开号：

  EP2862856B1
• 作为产物：
  描述：

  6-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pyridin-3-ol 在 盐酸 、 palladium on activated charcoal 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 25.0h， 生成 4-[5-(benzyloxy)pyridin-2-yl]cyclohexanone
  参考文献：
  名称：

  IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS

  摘要：

  公开号：

  EP2862856B1

文献信息

• Lithium borohydride: a reagent of choice for the selective reductive amination of cyclohexanones
  作者：Shawn Cabral、Bernard Hulin、Makoto Kawai

  DOI：10.1016/j.tetlet.2007.07.217

  日期：2007.10

  Traditional reductive amination of substituted cyclohexanones are either selective toward the formation of cis-products or show low selectivity. Herein we report a selective procedure for the reductive amination of substituted cyclohexanones with primary amines using lithium borohydride that is selective toward formation of trans-products.

  取代的环己酮的传统还原胺化要么对形成顺式产物具有选择性，要么显示出低选择性。在本文中，我们报告了一种选择性程序，该程序使用对形成反式产物具有选择性的硼氢化锂，用伯胺对取代的环己酮进行还原胺化。
• [EN] 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS<br/>[FR] 2-PYRIDYL-CYCLOALKYLENE-AMIDES ET 2-PYRIMIDYL-CYCLOALKYLENE-AMIDES CONSTITUANT DES ANTAGONISTES DU RECEPTEUR NR2B
  申请人：PFIZER JAPAN INC

  公开号：WO2004054579A1

  公开（公告）日：2004-07-01

  This invention provides a compound of the Formula (I), wherein R1 represents Formula (II), wherein R5 represents a hydroxy group or the like; R6 represents a hydrogen atom or the like. Z represents a carbon or a nitrogen atom: R2 represents a hydrogen atom or the like: R3 represents a hydrogen or the like: A represents a cycloalkylene or the like: X represents a covalent bond or the like: R4 represents an aryl or the like. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such as pain, or the like in mammals. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了一种Formula(I)化合物，其中R1代表Formula(II)，其中R5代表羟基或类似物；R6代表氢原子或类似物。Z代表一个碳原子或氮原子：R2代表氢原子或类似物：R3代表氢原子或类似物：A代表环烷基或类似物：X代表共价键或类似物：R4代表芳基或类似物。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病状况如疼痛等在哺乳动物中是有用的。本发明还提供了包含上述化合物的制药组合物。
• Cycloalkylene amide compounds as NR2B receptor antagonists
  申请人：——

  公开号：US20040152715A1

  公开（公告）日：2004-08-05

  This invention provides a compound of the formula (I): 1 wherein R 1 represents 2 wherein R 5 represents a hydroxy group or the like; R 6 and R 7 independently represents a hydrogen atom or the like: V represents an alkylene or the like: W represents a carbon atom or the like: Z represents a carbon or the like: R 2 represents a hydrogen atom or the like: R 3 represents a hydrogen or the like: A represents a cycloalkylene or the like: X represents a covalent bond or the like: R 4 represents an aryl or the like. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式（I）的化合物： 1其中R1表示2其中R5表示羟基或类似物；R6和R7独立地表示氢原子或类似物：V表示烷基或类似物：W表示碳原子或类似物：Z表示碳或类似物：R2表示氢原子或类似物：R3表示氢或类似物：A表示环烷基或类似物：X表示共价键或类似物：R4表示芳基或类似物。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病条件，如疼痛等哺乳动物疾病，非常有用。本发明还提供了包含上述化合物的制药组合物。
• AROMATIC HETEROCYCLIC COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2862856A1

  公开（公告）日：2015-04-22

  The compound represented by the general formula: wherein ring A is benzene which may be substituted and the like; ring B is benzene which may be substituted and the like; X is a single bond and the like; Y is alkyl which may be substituted and the like; Z is CR1 or nitrogen atom; R1 is hydrogen and the like; R2 is alkyl which may be substituted and the like or a pharmaceutically acceptable salt thereof is useful as a prevention/treatment agent of obesity, diabetes, and the like.

  由通式表示的化合物：其中环 A 是苯，可被取代等；环 B 是苯，可被取代等；X 是单键等；Y 是烷基，可被取代等；Z 是 CR1 或氮原子；R1 是氢等；R2 是烷基，可被取代等或其药学上可接受的盐，可用作肥胖症、糖尿病等的预防/治疗剂。
• Aromatic heterocyclic compound
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US10308636B2

  公开（公告）日：2019-06-04

  The compound represented by the general formula: wherein ring A is benzene which may be substituted and the like; ring B is benzene which may be substituted and the like; X is a single bond and the like; Y is alkyl which may be substituted and the like; Z is CR1 or nitrogen atom; R1 is hydrogen and the like; R2 is alkyl which may be substituted and the like or a pharmaceutically acceptable salt thereof is useful as a prevention/treatment agent of obesity, diabetes, and the like.

  由通式表示的化合物：其中环 A 是苯，可被取代等；环 B 是苯，可被取代等；X 是单键等；Y 是烷基，可被取代等；Z 是 CR1 或氮原子；R1 是氢等；R2 是烷基，可被取代等或其药学上可接受的盐，可用作肥胖症、糖尿病等的预防/治疗剂。