4-benzyl-3,6-diphenyl-2-tosyl-2,3,4,5-tetrahydro-1,2,4-triazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-benzyl-3,6-diphenyl-2-tosyl-2,3,4,5-tetrahydro-1,2,4-triazine
• 英文别名: 4-Benzyl-2-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,5-dihydro-1,2,4-triazine
• 化学式: C₂₉H₂₇N₃O₂S
• 分子量: 481.618
• InChiKey: SPHOEAPSAMXYOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 生成 4-benzyl-3,6-diphenyl-2-tosyl-2,3,4,5-tetrahydro-1,2,4-triazine
  参考文献：
  名称：

  Reinvestigation of Reaction of cis-Aziridinyl Ketone Semicarbazones and Tosylhydrazones with Diethyl Ether-Boron Trifluoride(1/1)

  摘要：

  A previously reported skeleton of reaction products of cis-1-alkyl-3-phenyl-aziridin-2-yl phenyl ketone semicarbazones (1) and tosyl hydrazones (2) with diethyl ether-boron trifluoride (1/1) was corrected to 2,3,4,5-tetrahydro-1,2,4-triazine derivatives (3) and (4), based on the results of reinvestigation with the X-Ray crystallography.

  DOI：

  10.3987/com-97-8085

文献信息

• Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines
  作者：Hong-Wu Zhao、Hai-Liang Pang、Yu-Di Zhao、Yue-Yang Liu、Li-Jiao Zhao、Xiao-Qin Chen、Xiu-Qing Song、Ning-Ning Feng、Juan Du

  DOI：10.1039/c6ra27767e

  日期：——

  In the presence of sodium carbonate, the [4 + 2] cycloaddition of α-halogeno hydrazones to imines proceeded readily, and furnished 2,3,4,5-tetrahydro-1,2,4-triazines in moderate to high chemical yields.

  在碳酸钠的存在下，α-卤代[[4 + 2]环向亚胺的加成反应很容易进行，并以中等至高化学产率提供了2,3,4,5-四氢-1,2,4-三嗪。
• Reinvestigation of Reaction of cis-Aziridinyl Ketone Semicarbazones and Tosylhydrazones with Diethyl Ether-Boron Trifluoride(1/1)
  作者：Motonobu Morioka、Tsuyoshi Ogata

  DOI：10.3987/com-97-8085

  日期：——

  A previously reported skeleton of reaction products of cis-1-alkyl-3-phenyl-aziridin-2-yl phenyl ketone semicarbazones (1) and tosyl hydrazones (2) with diethyl ether-boron trifluoride (1/1) was corrected to 2,3,4,5-tetrahydro-1,2,4-triazine derivatives (3) and (4), based on the results of reinvestigation with the X-Ray crystallography.