2,4-Dichlor-6-(2-morpholinoethinyl)-1,3,5-triazin | 115592-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,4-Dichlor-6-(2-morpholinoethinyl)-1,3,5-triazin
• 英文别名: 1-(4,6-Dichloro-1,3,5-triazin-2-yl)-2-morpholinoethin；4-[2-(4,6-Dichloro-1,3,5-triazin-2-yl)ethynyl]morpholine
• CAS: 115592-40-0
• 化学式: C₉H₈Cl₂N₄O
• 分子量: 259.095
• InChiKey: OPNOGQDPVTXRTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙炔基对甲苯基砜 、 2,4-Dichlor-6-(2-morpholinoethinyl)-1,3,5-triazin 以 二氯甲烷 为溶剂， 反应 120.0h， 以72%的产率得到3-(4,6-Dichlor-1,3,5-triazin-2-yl)-2-morpholino-5-(p-tolylsulfinyl)furan
  参考文献：
  名称：

  Himbert, Gerhard; Kosack, Steffen, Chemische Berichte, 1988, vol. 121, p. 2163 - 2170

  摘要：

  DOI：
• 作为产物：
  描述：

  三聚氯氰 、 1-Morpholino-2-(tributylstannyl)ethin 以 四氢呋喃 为溶剂， 反应 2.0h， 以58%的产率得到2,4-Dichlor-6-(2-morpholinoethinyl)-1,3,5-triazin
  参考文献：
  名称：

  Synthese von gestapelten `Push-Pull'-Acetylenen

  摘要：

  In view of possible solid-state polymerizations of crystalline stacked 'push-pull'-acetylenes 1. a series of compounds 1 has been synthesized (Scheme 3), and the results of,X-ray analyses of 'push-pull'-acetylenes Id,e,f are discussed. Of these three compounds, methyl 2-morpholinoacetylene carboxylate (Id) is by far the best candidate giving crystals with nicely stacked molecules (Fig. 3). Even in this case, however, stacking parameters d= 4,12 Angstrom and alpha = 31,6 degrees are too large for allowing solid-state polymerizations.

  DOI：

  10.1002/(sici)1522-2675(19990310)82:3<326::aid-hlca326>3.0.co;2-l

文献信息

• HIMBERT, GERHARD;KOSACK, STEFFEN, CHEM. BER., 121,(1988) N2, C. 2163-2170
  作者：HIMBERT, GERHARD、KOSACK, STEFFEN

  DOI：——

  日期：——
• Synthese von gestapelten `Push-Pull'-Acetylenen
  作者：Daniel Berger、Patrick Wilhelm、Markus Neuenschwander

  DOI：10.1002/(sici)1522-2675(19990310)82:3<326::aid-hlca326>3.0.co;2-l

  日期：1999.3.10

  In view of possible solid-state polymerizations of crystalline stacked 'push-pull'-acetylenes 1. a series of compounds 1 has been synthesized (Scheme 3), and the results of,X-ray analyses of 'push-pull'-acetylenes Id,e,f are discussed. Of these three compounds, methyl 2-morpholinoacetylene carboxylate (Id) is by far the best candidate giving crystals with nicely stacked molecules (Fig. 3). Even in this case, however, stacking parameters d= 4,12 Angstrom and alpha = 31,6 degrees are too large for allowing solid-state polymerizations.
• Himbert, Gerhard; Kosack, Steffen, Chemische Berichte, 1988, vol. 121, p. 2163 - 2170
  作者：Himbert, Gerhard、Kosack, Steffen

  DOI：——

  日期：——