3-((2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy)propene | 315241-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-((2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy)propene
• 英文别名: 2-Morpholin-4-yl-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
• CAS: 315241-83-9
• 化学式: C₁₇H₁₈N₂O₃S
• mdl: MFCD02328509
• 分子量: 330.408
• InChiKey: XLRRVVKABWCRIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-((2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy)propene 、 copper dichloride 以 乙醇 为溶剂， 生成 catena-poly[[cyclo-tetra-μ-chloro-tetracopper(I)]-bis[μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene]-2κN,1'η(2),2'κN]
  参考文献：
  名称：

  catena-Poly[[cyclo-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1′η²;1η²,2′κN]

  摘要：

  Crystals of a new copper(I) pi complex of composition [Cu4Cl4(C17H18N2O3S)(2)](n) have been obtained by alternating-current electrochemical synthesis. In the crystal structure, the Cu and Cl atoms form a chair-like Cu4Cl4 cyclic fragment. The organic ligand acts as a bridge, being connected via the C=C bond of the allyl group to a Cu atom from one inorganic cycle and via the N atom of the thiazole ring to a Cu atom of another copper-chloride fragment. The geometry of the pi center indicates that the Cu-(C=C)interaction is moderately effective.

  DOI：

  10.1107/s0108270105020299
• 作为产物：
  描述：

  吗啉 、 4-allyloxybenzalrhodanine 以 乙醚 为溶剂， 反应 2.0h， 生成 3-((2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy)propene
  参考文献：
  名称：

  catena-Poly[[cyclo-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1′η²;1η²,2′κN]

  摘要：

  Crystals of a new copper(I) pi complex of composition [Cu4Cl4(C17H18N2O3S)(2)](n) have been obtained by alternating-current electrochemical synthesis. In the crystal structure, the Cu and Cl atoms form a chair-like Cu4Cl4 cyclic fragment. The organic ligand acts as a bridge, being connected via the C=C bond of the allyl group to a Cu atom from one inorganic cycle and via the N atom of the thiazole ring to a Cu atom of another copper-chloride fragment. The geometry of the pi center indicates that the Cu-(C=C)interaction is moderately effective.

  DOI：

  10.1107/s0108270105020299