Ethyl-3-nicotinoyldithiocarbazate | 28540-06-9

• 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: Ethyl-3-nicotinoyldithiocarbazate
• 英文别名: N'-(pyridine-3-carbonyl)-hydrazinecarbodithioic acid ethyl ester；N'-nicotinoyl-hydrazinecarbodithioic acid ethyl ester；ethyl N-(pyridine-3-carbonylamino)carbamodithioate
• CAS: 28540-06-9
• 化学式: C₉H₁₁N₃OS₂
• 分子量: 241.338
• InChiKey: RYTSETQEWLCYAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 manganese (II) acetate tetrahydrate 、 Ethyl-3-nicotinoyldithiocarbazate 以 甲醇 为溶剂， 以58%的产率得到[Mn(N'-(pyridine-3-carbonyl)-hydrazinecarbodithioic acid ethyl ester(-1H))(o-phenanthroline)]
  参考文献：
  名称：

  Synthesis and X-ray structural studies of N′-(pyridine-3-carbonyl) hydrazinecarbodithioic acid ethyl ester (H2pchc) and [Mn(Hpchc)2(o-phen)]

  摘要：

  A new N'-(pyridine-3-carbonyl)-hydrazinecarbodithioic acid ethyl ester (H(2)pchc) (1) has been synthesized by two different methods which crystallized in two different crystal systems viz monoclinic and triclinic with space groups C-2/c (1a) and P (1) over bar (1b), respectively. The complex [Mn(Hpch)(2)(o-phen)] (2) of H(2)pchc was synthesized and crystallized in monoclinic space group C-2/c forming five membered chelate ring. In the complex 2, ortho C-H bond from o-phen ring leads to unusual intramolecular C-H center dot center dot center dot pi interaction with Mn(II) chelate ring which provides structural support for metalloaromaticity. (C) 2008 Elsevier Ltd. All rights reserved,

  DOI：

  10.1016/j.poly.2008.08.007

文献信息

• Synthesis and X-ray structural studies of N′-(pyridine-3-carbonyl) hydrazinecarbodithioic acid ethyl ester (H2pchc) and [Mn(Hpchc)2(o-phen)]
  作者：M. Singh、R.J. Butcher、N.K. Singh

  DOI：10.1016/j.poly.2008.08.007

  日期：2008.11

  A new N'-(pyridine-3-carbonyl)-hydrazinecarbodithioic acid ethyl ester (H(2)pchc) (1) has been synthesized by two different methods which crystallized in two different crystal systems viz monoclinic and triclinic with space groups C-2/c (1a) and P (1) over bar (1b), respectively. The complex [Mn(Hpch)(2)(o-phen)] (2) of H(2)pchc was synthesized and crystallized in monoclinic space group C-2/c forming five membered chelate ring. In the complex 2, ortho C-H bond from o-phen ring leads to unusual intramolecular C-H center dot center dot center dot pi interaction with Mn(II) chelate ring which provides structural support for metalloaromaticity. (C) 2008 Elsevier Ltd. All rights reserved,