4-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-methylsulfanylmethyl]benzamide | 135714-42-0

• 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: 4-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-methylsulfanylmethyl]benzamide
• CAS: 135714-42-0
• 化学式: C₁₅H₁₄ClNO₅S
• 分子量: 355.799
• InChiKey: UVQMRLISVCSLPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-methylsulfanylmethyl]benzamide 在 乙酸铵 作用下， 以 溶剂黄146 为溶剂， 反应 9.0h， 以70%的产率得到N-[amino-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-4-chlorobenzamide
  参考文献：
  名称：

  Novel Synthesis of Acylaminomethylene Meldrum's Acids and Their Thermolysis to 4-Methylthio-and 4-Amino-2-aryl-6H-1,3-oxazin-6-ones

  摘要：

  Bismethylthiomethylene Meldrum's acid reacts with amides in the presence of potassium hydroxide to afford methylthioacylaminomethylene Meldrum's acid 5. Aminolysis of 5 gives aminoacylaminomethylene Meldrum's acids 7. Thermolysis of 5 and 7 supplies a novel synthetic method of 4-methylthio- and 4-amino-2-aryl-6H-1,3-oxazin-6-ones.

  DOI：

  10.1080/00397919108021040
• 作为产物：
  描述：

  5-[双(甲基硫代)亚甲基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 、 4-氯苯甲酰胺 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 8.0h， 以64%的产率得到4-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-methylsulfanylmethyl]benzamide
  参考文献：
  名称：

  Novel Synthesis of Acylaminomethylene Meldrum's Acids and Their Thermolysis to 4-Methylthio-and 4-Amino-2-aryl-6H-1,3-oxazin-6-ones

  摘要：

  Bismethylthiomethylene Meldrum's acid reacts with amides in the presence of potassium hydroxide to afford methylthioacylaminomethylene Meldrum's acid 5. Aminolysis of 5 gives aminoacylaminomethylene Meldrum's acids 7. Thermolysis of 5 and 7 supplies a novel synthetic method of 4-methylthio- and 4-amino-2-aryl-6H-1,3-oxazin-6-ones.

  DOI：

  10.1080/00397919108021040

文献信息

• HUANG, XIAN;CHEN, BANG-CHI;WU, GUO-YONG;CHEN, HONG-BO, SYNTH. COMMUN., 21,(1991) N0-11, C. 1213-1221
  作者：HUANG, XIAN、CHEN, BANG-CHI、WU, GUO-YONG、CHEN, HONG-BO

  DOI：——

  日期：——