8,9-dimethyl-1-(4-methylphenyl)-3-methoxycarbonyl-7-ethoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene | 667867-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 8,9-dimethyl-1-(4-methylphenyl)-3-methoxycarbonyl-7-ethoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene
• 英文别名: 7-Ethyl 3-methyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate；7-O-ethyl 2-O-methyl 8,9-dimethyl-4-(4-methylphenyl)-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2,7-dicarboxylate
• CAS: 667867-58-5
• 化学式: C₁₈H₂₁N₃O₄S₂
• 分子量: 407.514
• InChiKey: JDLSBTVMQFSZME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 3,4-dimethyl-2-thiooxy-1,3-thiazolinyl-5-carboxylate 、 N-4-methylphenyl-C-methoxycarbonylnitrilimine 在 三乙胺 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 以80%的产率得到8,9-dimethyl-1-(4-methylphenyl)-3-methoxycarbonyl-7-ethoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene
  参考文献：
  名称：

  1，3-偶极环加成中的杂环硫酮及其类似物：VII。4-甲基-1,3-噻唑-2（3H）-硫酮与腈亚胺的反应

  摘要：

  Reactions of 4-methyl-1,3-thiazole-2(3H)-thiones with various C,N-disubstituted nitrile imines occurred by the common [3+2]-cycloaddition scheme leading to the formation in general of stable spiro compounds. In reactions of o-nitrophenylnitrile imines acyclic compounds were the main products.

  DOI：

  10.1134/s1070428007100193

文献信息

• Heterocyclic thiones and their analogs in 1,3-dipolar cycloaddition: VII. Reaction of 4-methyl-1,3-thiazole-2(3H)-thiones with nitrile imines
  作者：E. V. Budarina、T. S. Dolgushina、M. L. Petrov、N. N. Labeish、A. A. Kol’tsov、V. K. Bel’skii

  DOI：10.1134/s1070428007100193

  日期：2007.10

  Reactions of 4-methyl-1,3-thiazole-2(3H)-thiones with various C,N-disubstituted nitrile imines occurred by the common [3+2]-cycloaddition scheme leading to the formation in general of stable spiro compounds. In reactions of o-nitrophenylnitrile imines acyclic compounds were the main products.