(Z)-3-allyl-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one

• 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: (Z)-3-allyl-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one
• 英文别名: 3-allyl-5-(4-chloro-benzylidene)-2-thioxo-thiazolidin-4-one；3-Allyl-5-(4-chlor-benzyliden)-2-thioxo-thiazolidin-4-on；(5Z)-5-(4-chlorobenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one；(5Z)-5-[(4-chlorophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₃H₁₀ClNOS₂
• 分子量: 295.813
• InChiKey: WPEWLGPWIZTGLS-FLIBITNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-丙烯基洛丹宁 、 以 四氢呋喃 为溶剂， 反应 12.0h， 以72%的产率得到(Z)-3-allyl-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one
  参考文献：
  名称：

  Unexpected Synthesis of Novel 3-Allyl-5-(arylidene)-2-thioxo-thiazolidin-4-ones in Reactions of 3-Allylrhodanine with 2-Arylidene-4-methyl-5-oxopyrazolidinium Ylides

  摘要：

  The reaction of 3-allylrhodanine with 2-arylidene-4-methyl-5-oxopyrazolidinium ylides proceeded unexpectedly to form novel 3-allyl-5-(arylidene)-2-thioxo-thiazolidin-4-ones 6a-k in good yields. All structures have been formulated on the basis of their spectral (IR, NMR, MS) data and elemental analyses. In addition, the structure of compound 6a was confirmed by means of x-ray crystallographic analysis.

  DOI：

  10.1080/00397911.2015.1063655

文献信息

• Unexpected Synthesis of Novel 3-Allyl-5-(arylidene)-2-thioxo-thiazolidin-4-ones in Reactions of 3-Allylrhodanine with 2-Arylidene-4-methyl-5-oxopyrazolidinium Ylides
  作者：Rahhal El Ajlaoui、Amiri Ouafa、Souad Mojahidi、Lahcen El Ammari、Mohamed Saadi、Rakib El Mostapha

  DOI：10.1080/00397911.2015.1063655

  日期：2015.9.2

  The reaction of 3-allylrhodanine with 2-arylidene-4-methyl-5-oxopyrazolidinium ylides proceeded unexpectedly to form novel 3-allyl-5-(arylidene)-2-thioxo-thiazolidin-4-ones 6a-k in good yields. All structures have been formulated on the basis of their spectral (IR, NMR, MS) data and elemental analyses. In addition, the structure of compound 6a was confirmed by means of x-ray crystallographic analysis.