| 1463518-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1463518-62-8
• 化学式: C₁₃H₁₅ClN₂O
• 分子量: 250.728
• InChiKey: LYWZIRKRUBTJRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  水合茚三酮 、 以 乙醇 为溶剂， 反应 1.0h， 以96%的产率得到(6aR,11aR)-12-(2-chlorobenzoyl)-6a,11a-dihydroxy-2,3,4,5,6a,11a-hexahydroindeno[2',1':4,5]pyrrolo[1,2-a][1,3]diazepin-11(1H)-one
  参考文献：
  名称：

  聚合高功能性茚满酮稠合多环吡咯啉的环保方法

  摘要：

  描述了使用杂环烯酮缩醛和茚三酮轻松合成高度功能化的茚满酮稠合多环吡咯啉。通过添加醇或胺作为相应的起始原料，也可以直接获得衍生物的烷氧基或胺取代的类似物。反应条件是环境友好的，并且对多种杂环烯酮缩醛具有良好的耐受性。一个包含三个具有潜在生物活性的分子多样性的茚满酮稠合的吡咯啉系列的文库被证明可以快速构建，收率良好。

  DOI：

  10.1016/j.tet.2016.07.006

文献信息

• A Convenient Synthesis of 3,7′-Bisindole Derivatives
  作者：Teng Liu、Hong-You Zhu、Da-Yun Luo、Sheng-Jiao Yan、Jun Lin

  DOI：10.3390/molecules21050638

  日期：——

  An efficient and convenient method to synthesize highly functionalized 3,7'-bisindole derivatives has been developed via a Michael addition and cyclic condensation reaction of heterocyclic ketene aminals (HKAs) with 2-(1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione derivatives in ethanol-based solvents at room temperature. This strategy provides an efficient, environmentally friendly approach for easy

  通过杂环烯酮缩醛（HKA）与2-（1H-吲哚-3-基）环己2-2的迈克尔加成反应和环状缩合反应，已经开发出一种高效且方便的合成高度官能化的3,7'-双吲哚衍生物的方法。室温下在乙醇基溶剂中的5-二烯-1,4-二酮衍生物。该策略提供了一种高效，环保的方法，可轻松以中等到良好的产率获得各种新颖的3,7'-双吲哚衍生物。
• Three Component Solvent-free Synthesis of Chroman-2,4-dione-based Heterocyclic Ketene Aminal (HKA) Derivatives by "GAP" Chemistry
  作者：Fu-Chao Yu、Xiao-Pan Hao、Xiu-Yang Jiang、Sheng-Jiao Yan、Jun Lin

  DOI：10.5012/bkcs.2014.35.6.1625

  日期：2014.6.20

  A concise and efficient one-pot synthesis of chroman-2,4-dione-based HKA derivatives by three component reaction of HKAs, triethoxymethane and 4-hydroxycoumarin derivatives under solvent-free and catalyst-free conditions is described. This protocol has many advantages, in that the GAP (Group-Assistant-Purification) chemistry process is involved in this method. As a result, the experimenter can avoid cumbersome process steps such as traditional chromatography and recrystallization purifications. The desired products can be easily obtained by washing the crude products with 95% EtOH.

  描述了一种简洁高效的单锅合成方法，通过在无溶剂和无催化剂的条件下，将HKA、三乙氧基甲烷和4-羟基香豆素衍生物进行三组分反应，合成了基于色烯-2,4-二酮的HKA衍生物。该方法具有许多优点，因为其中涉及了GAP（群助纯化）化学过程。因此，实验者可以避免传统色谱和重结晶纯化等繁琐的过程步骤。所需产物可以通过用95%乙醇洗涤粗产物轻松获得。
• Three component solvent-free synthesis of 1H-pyrazol-5(4H)-one-based heterocyclic ketene aminal derivatives
  作者：Fuchao Yu、Zhiqiong Chen、Xiaopan Hao、Xiuyang Jiang、Shengjiao Yan、Jun Lin

  DOI：10.1039/c3ra41547c

  日期：——

  An efficient one-pot three-component synthesis of novel 1H-pyrazol-5(4H)-one-based heterocyclic ketene aminal libraries was performed by simply refluxing a mixture of heterocyclic ketene aminals (HKAs), 1-phenyl-1H-pyrazol-5(4H)-ones and triethoxymethane under solvent-free and catalyst-free conditions. The protocol has the advantages of being highly efficient and environmentally benign, with excellent

  一种新型的1 H-吡唑-5（4 H）-一基杂环化合物的高效一锅三组分合成烯酮 通过简单地回流杂环混合物来进行动物文库 烯酮氨基化合物（HKAs），1-苯基-1 H-吡唑-5（4 H）-和三乙氧基甲烷在无溶剂和无催化剂条件下。该方案具有高效，对环境无害，产率高，后处理容易等优点，适用于大规模，并行组合合成。这些化合物是药物开发的有希望的候选物。因此，使用此方法快速构建了多种基于1 H-吡唑-5（4 H）-one的HKA的文库。
• Silver(I)-mediated coupling reaction of heterocyclic ketene aminals (HKAs) with bis(phenylsulfonyl)sulfides to synthesis of benzenesulfonothioyl-HKAs
  作者：Ting-Ting Liu、Xin-Rong Lin、Rong Huang、Li-Fen Yang、Sheng-Jiao Yan、Jun Lin

  DOI：10.1016/j.tet.2014.09.094

  日期：2014.11

  An efficient and convenient method was developed for the preparation of 2-benzenesulfonothiol-HKAs via a silver(I)-mediated direct sulfenylation of heterocyclic ketene aminals (HKAs). The method involves a variety of functionalized substrates, leading to α-arylthioyl HKAs in a mild, easy operation, and mild reaction conditions.

  通过银（I）介导的杂环烯酮缩醛（HKA）的直接亚磺基化反应，开发了一种高效便捷的方法来制备2-苯磺硫醇-HKA。该方法涉及多种功能化的底物，在温和，易于操作和温和的反应条件下产生α-芳基硫酰基HKA。
• Catalyst-free three-component domino reactions for regioselective synthesis of multi-functional fused pyrroles
  作者：Xue-Bing Chen、Sheng-Jiao Yan、An Su、Wei Liu、Jun Lin

  DOI：10.1016/j.tet.2015.05.067

  日期：2015.7

  A three-component domino [3+2] cyclization for the synthesis of new multi-functional fused pyrroles has been developed via reaction of heterocyclic ketene aminals (HKAs) 1 with arylglyoxal monohydrates 2 and 1,3-diphenylpropane-1,3-dione 3 under catalyst-free conditions in ethanol. In the one-step domino reaction, one C-N bond and two C-C bonds were formed and one C-C bond was cleaved. The established protocol is advantageous in providing excellent regioselectivity and concise one-pot methodology with the use of environmentally friendly solvents and readily available starting materials. (C) 2015 Elsevier Ltd. All rights reserved.