(4-benzyl-morpholin-2-yl)-phenylmethanone | 521969-46-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-benzyl-morpholin-2-yl)-phenylmethanone
• 英文别名: (2SR)-(4-benzyl-morpholin-2-yl)-phenyl-methanone；(4-benzyl-morpholin-2-yl)-phenyl-methanone；2-Benzoyl-4-benzylmorpholine；(4-benzylmorpholin-2-yl)-phenylmethanone
• CAS: 521969-46-0
• 化学式: C₁₈H₁₉NO₂
• 分子量: 281.354
• InChiKey: VUIUUPMMRIZOPM-UHFFFAOYSA-N

物化性质

• 熔点：
  82.9-83.6 °C
• 沸点：
  413.8±45.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-benzyl-morpholin-2-yl)-phenylmethanone 在 甲基锂 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 24.75h， 生成 benzyl 2-(3,3,3,2,2-pentafluoro-1-hydroxy-1-phenyl-propanyl)morpholine-4-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of fluorinated analogues of monoamine reuptake inhibitors

  摘要：

  The synthesis of two series of fluorinated analogues of monoamines reuptake inhibitors based on tertiary alcohols 2-substituted morpholines scaffold has been achieved through the incorporation of fluorinated substituent into 2-substituted morpholino ketones. Their binding affinities have been measured on different monoamine transporters. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.02.018
• 作为产物：
  描述：

  N-苄基乙醇胺 在 盐酸 作用下， 反应 25.5h， 生成 (4-benzyl-morpholin-2-yl)-phenylmethanone
  参考文献：
  名称：

  Discovery of novel and selective tertiary alcohol containing inhibitors of the norepinephrine transporter

  摘要：

  A novel series of tertiary alcohol containing 2-substituted benzyl morpholines have been discovered as potent and selective inhibitors of the norepinephrine transporter. Efficient synthetic routes were developed featuring a highly diastereoselective nucleophilic addition of benzyl Grignard reagents to enantiopure (4-benzylmorpholin-2-yl)phenylmethanone (11) as the key synthetic step. In vitro binding affinity for the norepinephrine, dopamine and serotonin transporters and in vivo examination of a select compound (16) in a pharmacodynamic animal model for norepinephrine reuptake inhibition are presented. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.061

文献信息

• [EN] PYRIDINYLMORPHOLINE DERIVATIVES<br/>[FR] DERIVES DE PYRIDINYLMORPHOLINE
  申请人：LILLY CO ELI

  公开号：WO2005023802A1

  公开（公告）日：2005-03-17

  The invention relates to compounds of formula (I); wherein R, R1, R2 and X are as defined herein, their preparation and their use as pharmaceuticals.

  这项发明涉及到式(I)的化合物；其中R、R1、R2和X如本文所定义，它们的制备以及它们作为药物的用途。
• [EN] ARYL AND HETEROARYL MORPHOLINE DERIVATIVES<br/>[FR] DERIVES DE MORPHOLINE ARYLEE ET HETEROARYLEE
  申请人：LILLY CO ELI

  公开号：WO2004018441A1

  公开（公告）日：2004-03-04

  Compounds of formula (I) are selective inhibitors of the reuptake of norepinephrine, wherein Rx is H; Ry is H or C1-C4 alkyl; each Rz is independently H or C1-C4 alkyl; X represents O; Y represents OH or OR; R is C1-C4 alkyl; and Ar1 and Ar2 are optionally substituted phenyl or 5- or 6-membered heteroaryl rings.

  式（I）化合物是去甲肾上腺素再摄取的选择性抑制剂，其中Rx为H；Ry为H或C1-C4烷基；每个Rz独立地为H或C1-C4烷基；X代表O；Y代表OH或OR；R为C1-C4烷基；Ar1和Ar2为可选择取代的苯基或5-或6-成员杂环。
• [EN] BENZYL MORPHOLINE DERIVATIVES<br/>[FR] DERIVES DE LA BENZYL MORPHOLINE
  申请人：LILLY CO ELI

  公开号：WO2004018440A1

  公开（公告）日：2004-03-04

  A compound of formula (I) (I)wherein R is H; Ar is an aromatic group selected from phenyl; X is a phenyl group; R' is H or C1-C4 alkyl; each R1 is independently H or C1-C4 alkyl; and pharmaceutically acceptable salts thereof.

  化合物的化学式（I）（I），其中R为H；Ar为从苯基中选择的芳香基团；X为苯基团；R'为H或C1-C4烷基；每个R1独立地为H或C1-C4烷基；以及其药用可接受的盐。
• [EN] MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS<br/>[FR] DERIVES DE MORPHOLINE UTILES EN TANT QU'INHIBITEURS DE LA RECAPTURE DE LA NOREPINEPHRINE
  申请人：LILLY CO ELI

  公开号：WO2005066144A1

  公开（公告）日：2005-07-21

  Compounds of the general formula (I) are inhibitors of the reuptake of norepinephrine. As such, they may be useful for the treatment of disorders of the central and/or peripheral nervous system.

  通式(I)的化合物是去甲肾上腺素再摄取抑制剂。因此，它们可能对中枢和/或外周神经系统的疾病治疗有用。
• 3-Substituted-4-pyrimidone derivatives
  申请人：Uehara Fumiaki

  公开号：US20050090490A1

  公开（公告）日：2005-04-28

  a pyrimidone derivative represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof having inhibitory activity against tau protein kinase 1: wherein R 1 represents a C 1 -C 12 alkyl group which may be substituted; R represents, for example, a group represented by the following formula (II): wherein R 2 and R 3 independently represent a hydrogen atom or a C 1 -C 8 alkyl group; R 4 represents a benzene ring which may be substituted, a naphthalene ring which may be substituted, an indan ring which may be substituted, a tetrahydronaphthalene ring which may be substituted, or an optionally substituted heterocyclic ring having 1 to 4 heteno atoms selected from the group consisting of oxygen atom, sulfur atom and nitrogen atom, and having 5 to 10 ring-constituting atoms in total.

  一种以公式（I）表示的吡啶酮衍生物或其盐，或其溶剂或水合物，具有对tau蛋白激酶1的抑制活性：其中R1代表可以被取代的C1-C12烷基；R代表例如以下公式（II）所表示的基团：其中R2和R3独立地表示氢原子或C1-C8烷基；R4表示可以被取代的苯环，可以被取代的萘环，可以被取代的茚环，可以被取代的四氢萘环，或者是选择自氧原子、硫原子和氮原子组成的1至4个杂原子的可选取代杂环，总共具有5到10个构成环的原子。