1-(4-chlorophenyl)-2-(oxazolidin-2-ylidene)ethan-1-one | 950997-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-chlorophenyl)-2-(oxazolidin-2-ylidene)ethan-1-one
• CAS: 950997-87-2
• 化学式: C₁₁H₁₀ClNO₂
• 分子量: 223.659
• InChiKey: CDUALQVJAGWTSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(4-chlorophenyl)-2-(oxazolidin-2-ylidene)ethan-1-one 、 乙氧基甲叉丙二酸二乙酯 以 neat (no solvent) 为溶剂， 反应 5.0h， 以72%的产率得到8-(4-chlorobenzoyl)-5-oxo-2,3-dihydro-5H-oxazolo[3,2-a]pyridine-6-carboxylic acid ethyl ester
  参考文献：
  名称：

  An Efficient Solvent- and Catalyst-Free Synthesis of Bicyclic Pyridones with High Molecular Diversity via Cascade Reaction

  摘要：

  DOI：

  10.3987/com-17-13849

文献信息

• Three-component solvent-free synthesis of highly substituted bicyclic pyridines containing a ring-junction nitrogen
  作者：Shengjiao Yan、Yulan Chen、Lin Liu、Nengqin He、Jun Lin

  DOI：10.1039/c0gc00373e

  日期：——

  An efficient one-pot, three-component synthesis of highly substituted bicyclic pyridines containing a ring-junction nitrogen, starting from simple and readily available materials, is described. Cyclocondensation of heterocyclic ketene aminals (HKAs), triethoxymethane, and active methylene compounds by refluxing under solvent-free and catalyst-free conditions, provided bicyclic pyridines in excellent

  高效的一锅三组分合成含环结的高度取代的双环吡啶 氮描述了从简单易用的材料开始的内容。杂环的环缩合烯酮 阿米那犬 （HKA）， 三乙氧基甲烷，并处于活动状态 亚甲基 化合物在无溶剂和回流下回流 催化剂在无条件的条件下，以优异的产率提供了双环吡啶。
• An efficient one-pot synthesis of heterocycle-fused 1,2,3-triazole derivatives as anti-cancer agents
  作者：Sheng-Jiao Yan、Yong-Jiang Liu、Yu-Lan Chen、Lin Liu、Jun Lin

  DOI：10.1016/j.bmcl.2010.06.141

  日期：2010.9

  A series of heterocycle-fused 1,2,3-triazoles were easily prepared by the 1,3-dipolar cycloaddition of heterocyclic ketene aminals or N,O-acetals with sodium azide and polyhalo isophthalonitriles in a one-pot reaction at room temperature without a catalyst and evaluated in vitro against a panel of human tumour cell lines. 1,3-Oxazoheterocycle fused 1,2,3-triazoles were more potent against the tumour cell lines Skov-3, HL-60, A431, A549 and HepG-2 than 1,3-diazoheterocycle fused 1,2,3-triazoles. 4-Methoxyphenyl substituted 1,3-oxazoheterocycle fused 1,2,3-triazole 6j was found to be the most potent derivative with IC50 values lower than 1.9 mu g/mL against A431 and K562 human tumour cell lines. (C) 2010 Elsevier Ltd. All rights reserved.