[1-Methyl-1H-pyridin-(2E)-ylidene]-dithiocarbamic acid methyl ester | 59338-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [1-Methyl-1H-pyridin-(2E)-ylidene]-dithiocarbamic acid methyl ester
• 英文别名: methyl (NE)-N-(1-methylpyridin-2-ylidene)carbamodithioate
• CAS: 59338-40-8
• 化学式: C₈H₁₀N₂S₂
• 分子量: 198.313
• InChiKey: GEOQEZNGSYKFGX-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1-Methyl-1H-pyridin-(2E)-ylidene]-dithiocarbamic acid methyl ester 在 cesium fluoride 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 168.0h， 生成 2-(1-methyl-1,2-dihydropyridylidene)amino-5-(4-methoxylphenyl)oxazoline
  参考文献：
  名称：

  Fluoride Ion Promoted Azomethine Ylid Generation from 1-Methyl-2-[methylthio(trimethylsilylmethylimino)methylimino]-1,2-dihydropyridine, a Synthetic Equivalent of Aminonitrile Ylid

  摘要：

  1-Methyl-2-[methylthio(trimethylsilylmethylimino)methyl-imino]-1,2-dihydropyridine (1), prepared from 2-amino-1-methyl-pyridinium iodide in 3 steps, reacted with carbonyl compounds in the presence of cesium fluoride in acetonitrile to give 2-(1-methyl-1,2-dihydropyridylidene)aminooxazoline derivatives (6) via the 1,3-dipolar cycloadditon. This reaction was the first example of reaction of aminonitrile ylid with the C=O double bond.

  DOI：

  10.3987/com-94-6705
• 作为产物：
  描述：

  1-甲基-2(1H)-吡啶亚胺氢碘酸盐(1:1) 生成 [1-Methyl-1H-pyridin-(2E)-ylidene]-dithiocarbamic acid methyl ester
  参考文献：
  名称：

  Kohra Shinya, Tominaga Yoshinori, Heterocycles, 38 (1994) N 6, S 1217-1220

  摘要：

  DOI：

文献信息

• MIZUYAMA K.; TOMINAGA Y.; MATSUDA Y.; KOBAYASHI G., CHEM. AND PHARM. BULL., 1979, 27, NO 12, 2879-2889
  作者：MIZUYAMA K.、 TOMINAGA Y.、 MATSUDA Y.、 KOBAYASHI G.

  DOI：——

  日期：——
• Kohra Shinya, Tominaga Yoshinori, Heterocycles, 38 (1994) N 6, S 1217-1220
  作者：Kohra Shinya, Tominaga Yoshinori

  DOI：——

  日期：——
• Fluoride Ion Promoted Azomethine Ylid Generation from 1-Methyl-2-[methylthio(trimethylsilylmethylimino)methylimino]-1,2-dihydropyridine, a Synthetic Equivalent of Aminonitrile Ylid
  作者：Shinya Kohra、Yoshinori Tominaga

  DOI：10.3987/com-94-6705

  日期：——

  1-Methyl-2-[methylthio(trimethylsilylmethylimino)methyl-imino]-1,2-dihydropyridine (1), prepared from 2-amino-1-methyl-pyridinium iodide in 3 steps, reacted with carbonyl compounds in the presence of cesium fluoride in acetonitrile to give 2-(1-methyl-1,2-dihydropyridylidene)aminooxazoline derivatives (6) via the 1,3-dipolar cycloadditon. This reaction was the first example of reaction of aminonitrile ylid with the C=O double bond.