1-(5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl)ethanone | 100989-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl)ethanone
• 英文别名: 1-[5-(4-Chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]ethan-1-one；1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]ethanone
• CAS: 100989-43-3
• 化学式: C₁₉H₁₆ClNO
• 分子量: 309.795
• InChiKey: ZOELMDIYLFVJBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 0.33h， 生成 1-(5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl)ethanone
  参考文献：
  名称：

  由芳基乙二醛和β-烯胺酮直接用膦介导的多官能吡咯合成

  摘要：

  报道了一种由β-烯胺酮和芳基乙二醛合成吡咯的有效的一锅法反应。由三苯基膦介导的该反应消除了导致芳构化的三苯基膦氧化物，并已被用于获得广泛的吡咯衍生物。

  DOI：

  10.1016/j.tetlet.2015.11.075

文献信息

• Synthesis of Multisubstituted Pyrroles from Enolizable Aldehydes and Primary Amines Promoted by Iodine
  作者：Wenbo Huang、Shaomin Chen、Zhiyan Chen、Meie Yue、Minghao Li、Yanlong Gu

  DOI：10.1021/acs.joc.9b00596

  日期：2019.5.3

  4-Trisubstituted pyrroles were synthesized from enolizable aliphatic aldehydes and primary aliphatic amines by using iodine as the dual Lewis acid/mild oxidant. In the presence of 3.0 equiv of TBHP, enolizable α,β-unsaturated aldehyde, for example, cocal reacted with aromatic primary amines to form C2-iodized N-arylpyrroles. An acetal-containing pyrrole was successfully prepared from 4-aminobutyraldehyde

  以碘为路易斯酸/温和氧化剂，由可烯化的脂肪族醛和伯脂肪族胺合成了1,2,4-三取代的吡咯。在3.0当量的TBHP存在下，可烯化的α，β-不饱和醛，例如，与芳族伯胺发生共价反应，形成C 2-碘化的N-芳基吡咯。由4-氨基丁醛二乙基乙缩醛成功制备了含乙缩醛的吡咯，可以轻松地将其转化为5,6,7,8-四氢吲哚嗪衍生物。
• NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US20180022698A1

  公开（公告）日：2018-01-25

  Methods of treatment useful in the inducement or maintenance of anesthesia in a subject are provided. The methods comprise administering to a subject in need of anesthesia a compound disclosed herein. Also provided are novel compounds having anesthetic effects, pharmaceutical compositions comprising the compounds, and packaged pharmaceuticals. Computer modeling of the compounds demonstrates favorable interactions with the GABA receptor type A. In addition, the compounds display reversible anesthetic effects in an animal model, with dose-response curves similar to those of known general anesthetics. GABA receptor-mediated effects are also demonstrated in a hippocampal brain slice preparation.