4-benzoylmorpholin-3-one | 61883-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-benzoylmorpholin-3-one
• 英文别名: 4-benzoyl-morpholin-3-one；N-benzoyl-3-oxomorpholine
• CAS: 61883-62-3
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: LICUXZIPJQNDKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzoylmorpholin-3-one 在 palladium diacetate 、 三苯基膦 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.58h， 生成 tert-butyl N-{[4-benzoyl-3-oxo-2-(prop-2-en-1-yl)morpholin-2-yl]methyl}carbamate
  参考文献：
  名称：

  30种适用于CNS药物发现的铅样支架的模块合成

  摘要：

  开发了一种模块化的合成方法，产生了三十种适用于中枢神经系统药物发现的不同的铅样支架。

  DOI：

  10.1039/c7cc06078e
• 作为产物：
  描述：

  4-苯甲酰吗啉 在 sodium periodate 、 四氧化钌 作用下， 以 四氯化碳 、 水 为溶剂， 反应 80.0h， 生成 4-benzoylmorpholin-3-one
  参考文献：
  名称：

  Oxidation of Morpholine Derivatives with Ruthenium-(VIII) Oxide

  摘要：

  DOI：

  10.1055/s-1976-24131

文献信息

• ENANTIOSELECTIVE SYNTHESIS OF DIALKYLATED N,O-HETEROCYCLES BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION
  申请人：Stoltz Brian M.

  公开号：US20160096810A1

  公开（公告）日：2016-04-07

  This invention provides enantioenriched N,O-heterocyclic compounds with quaternary stereogenic centers and novel methods of preparing the compounds. Methods include the method for the preparation of a compound of formula (I): comprising treating a compound of formula (II): with a transition metal catalyst under alkylation conditions.

  这项发明提供了含有季碳立体中心的手性富集的N,O-杂环化合物以及制备这些化合物的新方法。方法包括制备式(I)化合物的方法：将式(II)化合物在烷基化条件下与过渡金属催化剂处理。
• Bleaching compositions and additives comprising bleach activators having
  申请人：The Procter & Gamble Company

  公开号：US05635103A1

  公开（公告）日：1997-06-03

  Improved cleaning and/or bleaching compositions including fabric laundry and bleaching compositions, automatic dishwashing compositions, hard surface cleaners, bleach additives and the like, suitable for domestic use, comprising improved bleach activators having particular alpha-modified lactam leaving groups leading to improved in-use performance of bleaching agents such as perborate even under wash conditions less alkaline than those typically encountered or when hydrogen peroxide source is at low levels in a cleaning operation. A preferred class of activators are N-acyl-3-morpholinone compounds with benzoyl being a preferred acyl group and N-Benzoyl-3-oxomorpholine being a highly preferred activator.

  改进的清洁和/或漂白组合物，包括织物洗涤和漂白组合物、自动洗碗组合物、硬表面清洁剂、漂白添加剂等，适用于家庭使用，包括改进的漂白活化剂，具有特定的α-修饰内酰胺离去基团，可提高漂白剂的使用性能，如过硼酸甚至在比通常遇到的洗涤条件更不碱性或在清洁操作中过氧化氢来源较低的情况下。一种优选的活化剂类别是N-酰基-3-吗啉酮化合物，其中苯甲酰基是首选酰基，N-苯甲酰基-3-氧代吗啉酮是高度优选的活化剂。
• Construction of tertiary chiral centers by Pd-catalyzed asymmetric allylic alkylation of prochiral enolate equivalents
  作者：Yusuke Kita、Yoshitaka Numajiri、Noriko Okamoto、Brian M. Stoltz

  DOI：10.1016/j.tet.2015.05.092

  日期：2015.9

  The palladium-catalyzed decarboxylative allylic alkylation of enol carbonates derived from lactams and ketones is described. Employing these substrates with an electronically tuned Pd catalyst system trisubstituted chiral centers are produced. These stereocenters have been previously challenging to achieve using Pd complex/chiral P-N ligand systems. (C) 2015 Elsevier Ltd. All rights reserved.
• Enantioselective Synthesis of Dialkylated <i>N</i>-Heterocycles by Palladium-Catalyzed Allylic Alkylation
  作者：Yoshitaka Numajiri、Gonzalo Jiménez-Osés、Bo Wang、K. N. Houk、Brian M. Stoltz

  DOI：10.1021/ol503425t

  日期：2015.3.6

  The enantioselective synthesis of alpha-disubstituted N-heterocyclic carbonyl compounds has been accomplished using palladium-catalyzed allylic alkylation. These catalytic conditions enable access to various heterocycles, such as morpholinone, thiomorpholinone, oxazolidin-4-one, 1,2-oxazepan-3-one, 1,3-oxazinan-4-one, and structurally related lactams, all bearing fully substituted alpha-positions. Broad functional group tolerance was explored at the alpha-position in the morpholinone series. We demonstrate the utility of this method by performing various transformations on our useful products to readily access a number of enantioenriched compounds.
• PERRONE R.; BETTONI G.; TORTORELLA V., SYNTHESIS <SYNT-BF>, 1976, NO 9, 598-600
  作者：PERRONE R.、 BETTONI G.、 TORTORELLA V.

  DOI：——

  日期：——