S-methyl (N-pyrid-2-ylmethyl)thiocarbamate | 334833-79-3

• 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: S-methyl (N-pyrid-2-ylmethyl)thiocarbamate
• 英文别名: S-methyl N-(pyridin-2-ylmethyl)carbamothioate
• CAS: 334833-79-3
• 化学式: C₈H₁₀N₂OS
• 分子量: 182.246
• InChiKey: OLHJPEWGXFEKHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三(2-氨基乙基)胺 、 S-methyl (N-pyrid-2-ylmethyl)thiocarbamate 以 甲醇 为溶剂， 反应 48.0h， 以94%的产率得到tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine
  参考文献：
  名称：

  Proton−Lithium Binding Behavior of Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine

  摘要：

  Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine (2) and its perchlorate salt, 2 . HClO4, bind with Li+ in nitromethane in a 1:1 fashion. The stability constants of K(Li+) and K-H(Li+) were found to be 112 +/- 25 and 130 +/-. 30 M-1 in CD3NO2, respectively. Formation of the 1:1 complexes were further evidenced by electrospray ionization mass spectrometry (ESI-MS). The slight increase, or at least the same order of magnitude, of K-H(Li+) compared to K(Li+) points to a remarkable preorganization of the protonated podand in 2 . HClO4, that essentially overcomes the increased Columbic repulsion occurring on complexation to Li+.

  DOI：

  10.1021/jo001221q
• 作为产物：
  描述：

  2-氨甲基吡啶 、 荒酸二甲酯 在 正丁基锂 、 六甲基二硅氮烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 17.5h， 以28%的产率得到S-methyl (N-pyrid-2-ylmethyl)thiocarbamate
  参考文献：
  名称：

  Proton−Lithium Binding Behavior of Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine

  摘要：

  Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine (2) and its perchlorate salt, 2 . HClO4, bind with Li+ in nitromethane in a 1:1 fashion. The stability constants of K(Li+) and K-H(Li+) were found to be 112 +/- 25 and 130 +/-. 30 M-1 in CD3NO2, respectively. Formation of the 1:1 complexes were further evidenced by electrospray ionization mass spectrometry (ESI-MS). The slight increase, or at least the same order of magnitude, of K-H(Li+) compared to K(Li+) points to a remarkable preorganization of the protonated podand in 2 . HClO4, that essentially overcomes the increased Columbic repulsion occurring on complexation to Li+.

  DOI：

  10.1021/jo001221q

文献信息

• Proton−Lithium Binding Behavior of Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine
  作者：Chih-Feng Liao、Jun-Liang Lai、Jau-An Chen、Hung-Ting Chen、Hsing-Ling Cheng、Guor-Rong Her、Jen Kuan Su、Yu Wang、Gene Hsiang Lee、Man-kit Leung、Chih-Chieh Wang

  DOI：10.1021/jo001221q

  日期：2001.4.1

  Tris(2-((pyrid-2-ylmethyl)uredio)ethyl)amine (2) and its perchlorate salt, 2 . HClO4, bind with Li+ in nitromethane in a 1:1 fashion. The stability constants of K(Li+) and K-H(Li+) were found to be 112 +/- 25 and 130 +/-. 30 M-1 in CD3NO2, respectively. Formation of the 1:1 complexes were further evidenced by electrospray ionization mass spectrometry (ESI-MS). The slight increase, or at least the same order of magnitude, of K-H(Li+) compared to K(Li+) points to a remarkable preorganization of the protonated podand in 2 . HClO4, that essentially overcomes the increased Columbic repulsion occurring on complexation to Li+.