3-(4-甲基苯基)-2-哌嗪酮 | 157977-91-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-(4-甲基苯基)-2-哌嗪酮
• 英文名称: 3-(4-Methylphenyl)piperazin-2-one
• CAS: 157977-91-8
• 化学式: C₁₁H₁₄N₂O
• mdl: MFCD07373558
• 分子量: 190.245
• InChiKey: RXFUIHADWKAZNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-p-Tolyl-oxirane-2,2-dicarbonitrile 、 乙二胺 以 乙腈 为溶剂， 反应 5.0h， 以10%的产率得到3-(4-甲基苯基)-2-哌嗪酮
  参考文献：
  名称：

  Chemoselective Nucleophilic Attack of .alpha.,.alpha.-Dicyano Epoxides: A Simple Synthesis of .alpha.-Amino Amides, Epoxy Amidines and Their Cyclic Analogs

  摘要：

  DOI：

  10.1021/jo00095a059

文献信息

• Inhibitors of Histone Deacetylase
  申请人：Grimm Jonathan B.

  公开号：US20090069250A1

  公开（公告）日：2009-03-12

  The present invention relates to a novel class of compounds. These compounds can inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the compounds of the instant invention and sale dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一类新型化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于在选择性诱导终末分化、阻止肿瘤细胞生长和/或凋亡的过程中使用，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤特征的患者方面是有用的，这些肿瘤由肿瘤细胞增殖引起。本发明的化合物还可能在预防和治疗TRX介导的疾病方面有用，如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，如神经退行性疾病。本发明还提供包含本发明化合物的药物组合物，以及这些药物组合物的销售用剂量方案，易于遵循，并在体内产生这些化合物的治疗有效量。
• [EN] CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEURS DE CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2010107605A1

  公开（公告）日：2010-09-23

  Compounds of Formula (I) (wherein variables A1, A2, A3, ring-B, m, n, J, E1, E2, E3, R5, RPG and Y are as described herein), which are useful as antagonists of CGRP receptors, and useful in the treatment or prevention of diseases in which CGRP receptors are involved, such as headache, and in particular migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising the compounds of formula (I) and the use of these compounds and compositions in the prevention or treatment of diseases in which CGRP receptors are involved.

  公式（I）的化合物（其中变量A1、A2、A3、环B、m、n、J、E1、E2、E3、R5、RPG和Y如本文所述），这些化合物可用作CGRP受体的拮抗剂，并可用于治疗或预防涉及CGRP受体的疾病，如头痛，特别是偏头痛和群集性头痛。该发明还涉及包含公式（I）化合物的制药组合物以及在涉及CGRP受体的疾病的预防或治疗中使用这些化合物和组合物的用途。
• Asymmetric Catalytic Access to Piperazin-2-ones and Morpholin-2-ones in a One-Pot Approach: Rapid Synthesis of an Intermediate to Aprepitant
  作者：Sara Meninno、Alessandra Lattanzi

  DOI：10.1021/acs.joc.2c02491

  日期：——

  A one-pot Knoevenagel reaction/asymmetric epoxidation/domino ring-opening cyclization (DROC) has been developed from commercial aldehydes, (phenylsulfonyl)acetonitrile, cumyl hydroperoxide, 1,2-ethylendiamines, and 1,2-ethanol amines to provide 3-aryl/alkyl piperazin-2-ones and morpholin-2-ones in yields of 38 to 90% and up to 99% ee. Two out of the three steps are stereoselectively catalyzed by a

  一锅 Knoevenagel 反应/不对称环氧化/多米诺开环环化 (DROC) 是由商业醛、(苯磺酰基)乙腈、枯基氢过氧化物、1,2-乙二胺和 1,2-乙醇胺开发而成，可提供 3-芳基/烷基哌嗪-2-酮和吗啉-2-酮的产率为 38% 至 90%，ee 高达 99%。三个步骤中的两个是由奎宁衍生的尿素立体选择性催化的。该序列已应用于关键中间体的短对映选择性进入，以两种绝对构型参与强效止吐药阿瑞吡坦的合成。
• Hurtaud Dominique, Baudy-Floch Michele, Robert Albert, Le Grel Philippe, J. Org. Chem, 59 (1994) N 16, S 4701-4703
  作者：Hurtaud Dominique, Baudy-Floch Michele, Robert Albert, Le Grel Philippe

  DOI：——

  日期：——
• US8168658B2
  申请人：——

  公开号：US8168658B2

  公开（公告）日：2012-05-01