1-benzyl-4-(diphenylmethyl)piperidin-3-one | 562839-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-benzyl-4-(diphenylmethyl)piperidin-3-one
• 英文别名: 4-Benzhydryl-1-benzyl-3-piperidinone；4-Benzhydryl-1-benzylpiperidin-3-one
• CAS: 562839-77-4
• 化学式: C₂₅H₂₅NO
• 分子量: 355.48
• InChiKey: QMEFUQVJVUDYLI-UHFFFAOYSA-N

物化性质

• 沸点：
  494.9±40.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-benzyl-4-(diphenylmethyl)piperidin-3-one hydrochloride 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 1-benzyl-4-(diphenylmethyl)piperidin-3-one
  参考文献：
  名称：

  EP1460062

  摘要：

  公开号：

文献信息

• RETRACTED: 3-Benzhydryl-4-piperidones as novel neurokinin-1 receptor antagonists and their efficient synthesis
  作者：Junya Shirai、Minoru Nakamura、Naoki Tarui、Tadatoshi Hashimoto、Yoshinori Ikeura

  DOI：10.1016/j.bmc.2011.07.014

  日期：2011.9

  This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy). This article has been retracted at the request of the authors. Subsequent to publication, it became clear to the authorship group that there was a serious mistake about the origin of the lead compound. The manuscript indicated that the lead compound was found from high-throughput

  本文已被撤消：请参阅Elsevier关于文章取款的政策（http://www.elsevier.com/locate/withdrawalpolicy）。 应作者的要求，本文已撤回。出版之后，作者团队清楚地知道铅化合物的来源存在严重错误。手稿表明，从我们的化学文库的高通量筛选中发现了先导化合物。然而，据揭示，其中的一种主要化合物是最初设计和合成的，目的是获得其中一位作者的生物活性。此外，Yukimasa博士被遗漏为作者，而事实上，Yukimasa博士领导了针对该化合物的药物发现研究。作者得出的结论是，这些事实使该论文不合适且不忠实，因此决定撤回该论文。
• Nitrogeneous cyclic ketone derivative, process for producing the same, and use
  申请人：Yamaoka Masayoshi

  公开号：US20050038072A1

  公开（公告）日：2005-02-17

  A novel compound represented by the formula (I): wherein rings A and B each represents an optionally substituted aromatic ring, or rings A and B may be bonded to each other through linking between bonds or substituents thereof to form a ring; ring C represents a nitrogenous saturated heterocycle optionally having one or more substituents besides the oxo (provided that 2,3-dioxopyrrolidine ring is excluded); R 1 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group; and indicates a single bond or a double bond. It has high antagonistic activity against a tachykinin receptor, especially an SP receptor.

  一种新的化合物，化学式表示为（I）：其中环A和环B分别代表一个可选取代芳香环，或者环A和环B通过键或它们的取代基之间的连接结合形成一个环；环C代表一个氮饱和杂环，除了氧代（提供2,3-二氧代吡咯烷环除外）之外，还可以选择具有一个或多个取代基；R1代表氢、可选取代的碳氢基团或可选取代的杂环基团；表示单键或双键。它对一种快速激动肽受体，尤其是SP受体具有高拮抗活性。
• WRAPPING FILM AND SHRINK FILM EACH COMPRISING BUTENE POLYMER
  申请人：IDEMITSU PETROCHEMICAL CO., LTD.

  公开号：EP1428855A1

  公开（公告）日：2004-06-16

  The wrap film and the shrink film of the present invention are formed from a resin composition comprising a specific 1-butene base polymer satisfying the following items (1) to (4) and an olefin base polymer, and they are excellent in a safety and satisfy characteristics for a wrap film or a shrink film: (1) a crystalline resin in which a melting point (Tm-D) defined as a peak top of a peak observed at a highest temperature side in a melting endothermic curve obtained by holding a sample at -10°C for 5 minutes under nitrogen atmosphere by means of a differential scanning calorimeter (DSC) and then elevating the temperature at 10°C/minute is 0 to 100°C; (2) a stereospecific index (mmmm)/(mmrr + rmmr)} is 20 or less; (3) a molecular weight distribution (Mw/Mn) measured by a gel permeation chromatography (GPC) method is 4.0 or less; and (4) a weight average molecular weight (Mw) measured by the GPC method is 10,000 to 1,000,000.

  本发明的缠绕膜和收缩膜是由符合以下（1）至（4）项的特定 1-丁烯基聚合物和烯烃基聚合物组成的树脂组合物形成的，它们在安全性和满足缠绕膜或收缩膜的特性方面都非常出色： (1) 一种结晶性树脂，其熔点（Tm-D）定义为通过差示扫描量热仪（DSC）在氮气环境 下将样品在-10℃下保持 5 分钟，然后以 10℃/分钟的速度升温所获得的熔化内热 曲线中在最高温度侧观察到的峰顶的峰值，即 0 至 100℃； (2) 立体特异性指数(mmmmm)/(mmrr + rmmrr)} 为 20 或以下； (3) 用凝胶渗透色谱法（GPC）测得的分子量分布（Mw/Mn）为 4.0 或以下；以及 (4) 用凝胶渗透色谱法测得的平均分子量（Mw）为 10,000 至 1,000,000。
• NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1460062A1

  公开（公告）日：2004-09-22

  A novel compound represented by the formula (I): wherein rings A and B each represents an optionally substituted aromatic ring, or rings A and B may be bonded to each other through linking between bonds or substituents thereof to form a ring; ring C represents a nitrogenous saturated heterocycle optionally having one or more substituents besides the oxo (provided that 2,3-dioxopyrrolidine ring is excluded); R1 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group; and --------¯ indicates a single bond or a double bond. It has high antagonistic activity against a tachykinin receptor, especially an SP receptor.

  一种由式(I)代表的新型化合物： 其中，环 A 和环 B 各自代表一个任选取代的芳香环，或环 A 和环 B 可通过其键或取代基之间的连接而相互键合，形成一个环；环 C 代表一个含氮饱和杂环，除了氧代外，还可任选具有一个或多个取代基（前提是不包括 2,3-二氧代吡咯烷环）；R1 代表氢、任选取代的烃基或任选取代的杂环基；以及 --------¯ 表示单键或双键。它对速激肽受体，尤其是 SP 受体具有很高的拮抗活性。
• Wrapping film and shrink film each comprising butene polymer
  申请人：Sera Masanori

  公开号：US20050031883A1

  公开（公告）日：2005-02-10

  The wrap film and the shrink film of the present invention are formed from a resin composition comprising a specific 1-butene base polymer satisfying the following items (1) to (4) and an olefin base polymer, and they are excellent in a safety and satisfy characteristics for a wrap film or a shrink film: (1) a crystalline resin in which a melting point (Tm-D) defined as a peak top of a peak observed at a highest temperature side in a melting endothermic curve obtained by holding a sample at −10° C. for 5 minutes under nitrogen atmosphere by means of a differential scanning calorimeter (DSC) and then elevating the temperature at 10° C./minute is 0 to 100° C.; (2) a stereospecific index (mmmm)/(mmrr+rmmr)} is 20 or less; (3) a molecular weight distribution (Mw/Mn) measured by a gel permeation chromatography (GPC) method is 4.0 or less; and (4) a weight average molecular weight (Mw) measured by the GPC method is 10,000 to 1,000,000.