5-phenacyl-3,6-diphenyl-1,2,4-triazine | 94398-41-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-phenacyl-3,6-diphenyl-1,2,4-triazine
• 英文别名: 2-(3,6-Diphenyl-1,2,4-triazin-5-yl)-1-phenylethanone
• CAS: 94398-41-1
• 化学式: C₂₃H₁₇N₃O
• 分子量: 351.407
• InChiKey: OZLCETAAGOEJSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二苯基-1,2,4-噻嗪-5-醇 在 氯化亚砜 、 sodium hydride 作用下， 反应 2.0h， 生成 5-phenacyl-3,6-diphenyl-1,2,4-triazine
  参考文献：
  名称：

  Konno, Shoetsu; Ohba, Setsuya; Agata, Mitsuko, Heterocycles, 1987, vol. 26, # 12, p. 3259 - 3264

  摘要：

  DOI：

文献信息

• Studies on as-triazine derivatives. XVI. Reaction of 1,2,4-triazinecarbonitriles with carbanions.
  作者：Setsuya OHBA、Shoetsu KONNO、Hiroshi YAMANAKA

  DOI：10.1248/cpb.39.486

  日期：——

  A cyano group in 1, 2, 4-triaznes, regardless of its position, acted as an effective leaving group in reactions with carbanions. Thus, the reactions gave the corresponding substituted products in place of the compounds formed by addition reaction of carbanions to the cyano group. Grignard reaction of these carbonitriles is also described.

  在1, 2, 4-三嗪中，无论氰基的位置如何，都作为与负碳离子的反应中的有效离去基团。因此，反应给出了相应的取代产物，而不是负碳离子与氰基的加成反应形成的化合物。此外，还描述了这些腈类化合物的格氏反应。
• ——
  作者：D. N. Kozhevnikov、I. S. Kovalev、A. M. Prokhorov、V. L. Rusinov、O. N. Chupakhin

  DOI：10.1023/a:1025601311393

  日期：——

  Nucleophilic substitution of hydrogen in pyrazine N-oxides under the action of CH-active compounds requires activation with acylating agents. This activation facilitates aromatization of intermediate sigma(H) adducts via elimination of the acid residue to form substituted pyrazines. More electrophilic 1,2.4-triazine 4-oxides react with carbanions derived from CH-active compounds without additional activation according to a scheme, which has previously been unknown for azine N-oxides. This scheme involves aromatization of a H adducts through elimination of water by the E1cb mechanism. The reaction products occur in DMSO-d(6) Solutions predominantly as 6-methylene-1,6-dihydropyrazines and 5-methylene-4,5-dihydro-1,2,4-triazines.
• OHBA, SETSUYA;KONNO, SHOETSU;YAMANAKA, HIROSHI, CHEM. AND PHARM. BULL., 39,(1991) N, C. 486-488
  作者：OHBA, SETSUYA、KONNO, SHOETSU、YAMANAKA, HIROSHI

  DOI：——

  日期：——
• KONNO, SHOETSU;FUJIMURA, SATOSHI;YAMANAKA, HIROSHI, HETEROCYCLES, 1984, 22, N 10, 2245-2248
  作者：KONNO, SHOETSU、FUJIMURA, SATOSHI、YAMANAKA, HIROSHI

  DOI：——

  日期：——
• KONNO, SHOETSU;OHBA, SETSUYA;AGATA, MITSUKO;AIZAWA, YUICHI;SAGI, METAICHI+, HETEROCYCLES, 26,(1987) N 12, 3259-3264
  作者：KONNO, SHOETSU、OHBA, SETSUYA、AGATA, MITSUKO、AIZAWA, YUICHI、SAGI, METAICHI+

  DOI：——

  日期：——