ethyl N-(4-methoxyphenyl)-N-methylthiocarbamoylacetate | 263244-97-9

• 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: ethyl N-(4-methoxyphenyl)-N-methylthiocarbamoylacetate
• 英文别名: ethyl 3-(4-methoxy-N-methylanilino)-3-sulfanylidenepropanoate
• CAS: 263244-97-9
• 化学式: C₁₃H₁₇NO₃S
• 分子量: 267.349
• InChiKey: SYZSYEZWNAAXRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl N-(4-methoxyphenyl)-N-methylthiocarbamoylacetate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以90%的产率得到N-(4-methoxyphenyl)-N-methylthiocarbamoylacetic acid
  参考文献：
  名称：

  The First Synthesis of N-Alkyl-N-Arylthiocarbamoylacetates and Acetic Acids

  摘要：

  N-Alkyl-N-arylthiocarbamoylacetates, the key intermediates for the synthesis of novel antinephritic agents, have been prepared for the first time. Some of the esters were in turn hydrolyzed to the corresponding acids, An alternative, indirect synthetic route was also developed to prepare some unusual acids.

  DOI：

  10.1080/00397910008087354
• 作为产物：
  描述：

  Monothiomalonsaeure-O,O-diethylester 、 N-甲基-P-氨基苯甲醚 以85%的产率得到ethyl N-(4-methoxyphenyl)-N-methylthiocarbamoylacetate
  参考文献：
  名称：

  喹啉-3-碳硫代酰胺和相关化合物作为新型免疫调节剂。

  摘要：

  通过四种合成途径制备了一系列喹啉-3-碳硫代酰胺及其类似物，并评估了它们的抗肾炎和免疫调节活性。最佳化合物9g在用TNP-LPS免疫的小鼠中强烈抑制了T细胞独立抗体的产生，并且在两种肾炎模型（即慢性移植物抗宿主病和自身免疫MRL / 1小鼠）中非常有效。

  DOI：

  10.1016/s0960-894x(02)00377-3

文献信息

• Quinoline-3-carbothioamides and related compounds as novel immunomodulating agents
  作者：Takashi Tojo、Glen W Spears、Kiyoshi Tsuji、Hiroaki Nishimura、Takashi Ogino、Nobuo Seki、Aiko Sugiyama、Masaaki Matsuo

  DOI：10.1016/s0960-894x(02)00377-3

  日期：2002.9

  A series of quinoline-3-carbothioamides and their analogues was prepared via four synthetic routes and evaluated for their antinephritic and immunomodulating activities. The optimal compound 9g strongly inhibited the T-cell independent antibody production in mice immunized with TNP-LPS and was highly effective in two nephritis models, namely chronic graft-versus-host disease and autoimmune MRL/l mice

  通过四种合成途径制备了一系列喹啉-3-碳硫代酰胺及其类似物，并评估了它们的抗肾炎和免疫调节活性。最佳化合物9g在用TNP-LPS免疫的小鼠中强烈抑制了T细胞独立抗体的产生，并且在两种肾炎模型（即慢性移植物抗宿主病和自身免疫MRL / 1小鼠）中非常有效。
• The First Synthesis of N-Alkyl-N-Arylthiocarbamoylacetates and Acetic Acids
  作者：Glen W. Spears、Kiyoshi Tsuji、Takashi Tojo、Hiroaki Nishimura、Takashi Ogino

  DOI：10.1080/00397910008087354

  日期：2000.2

  N-Alkyl-N-arylthiocarbamoylacetates, the key intermediates for the synthesis of novel antinephritic agents, have been prepared for the first time. Some of the esters were in turn hydrolyzed to the corresponding acids, An alternative, indirect synthetic route was also developed to prepare some unusual acids.