5,6-diphenyl-3-(2'-hydroxyphenyl)-1,2,4-triazine | 16086-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,6-diphenyl-3-(2'-hydroxyphenyl)-1,2,4-triazine
• 英文别名: 5,6-diphenyl-3-(o-hydroxyphenyl)-1,2,4-triazine；2-(5,6-diphenyl-[1,2,4]triazin-3-yl)-phenol；3-(2-hydroxyphenyl)-5,6-diphenyl-1,2,4-triazine；Phenol, 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-；2-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol
• CAS: 16086-60-5
• 化学式: C₂₁H₁₅N₃O
• 分子量: 325.37
• InChiKey: YNJRKXVCRCMYBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,6-diphenyl-3-(2'-hydroxyphenyl)-1,2,4-triazine 以 苯 为溶剂， 生成 2,3-diphenyl-5H<1>benzopyrano<4,3-b>pyridine
  参考文献：
  名称：

  1,2,4-三嗪的分子内Diels-Alder反应：三环缩合吡啶和吡嗪的合成

  摘要：

  详细介绍了利用1,2,4-三嗪与炔烃和腈双亲二烯物的分子内Diels-Alder反应合成数种6,6,6-三环缩合吡啶和吡嗪的方法。通过束缚二烯和亲二烯体的链中存在构象限制性的平面芳族环来促进环化。

  DOI：

  10.1016/s0040-4039(00)84423-8
• 作为产物：
  描述：

  水杨酰肼 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 4.5h， 以51%的产率得到5,6-diphenyl-3-(2'-hydroxyphenyl)-1,2,4-triazine
  参考文献：
  名称：

  Monomer 5, 6-Diphenyl-1.2.4-Traizinic Derivatives and the Use Thereof

  摘要：

  该发明涉及使用通式(I)的5,6-二苯基-1,2,4-三唑化合物，其中环穿透键显示一个邻位、间位或对位的不同取代位置，相同或不同的R1和R2代表氢、氟、氯或溴原子，C1至C12直链或支链烷基，C1至C18直链或支链羟基、烷氧基聚（乙氧基）-烷氧基，具有从1到4的乙氧基数的C1至C4烷基片段和氨基或单或双烷基氨基，具有C1至C4烷基片段的羟基、氨基、苯基，可能被羟基取代1到3次，位于对位或苯基位置，可能被C1至C12烷氧基或氰基或烷基氨基团取代1到3次，形式为活性防晒剂或光保护剂的化妆品组合物中含有所述化合物。

  公开号：

  US20080299055A1

文献信息

• Intramolecular Diels-Alder reactions of 1,2,4-triazines. Routes to condensed pyrazines via cycloaddition of nitrile dienophiles
  作者：Edward C. Taylor、Larry G. French

  DOI：10.1021/jo00267a006

  日期：1989.3
• Synthesis and characterization of new copper(II) and nickel(II) complexes of 3-(2′-hydroxyphenyl)-1,2,4-triazine derivatives
  作者：Virginie Béreau、Jérôme Rey、Eric Deydier、Jérôme Marrot

  DOI：10.1016/s0020-1693(03)00192-0

  日期：2003.7

  The copper(II) and nickel(II) complexes of 5,6-diphenyl-3-(2-hydroxyphenyl)-1,2,4-triazine, noted HLH, and 5,6-bis (4-methoxyphenyl)-3-(2'-hydroxyphenyl)-1, 2,4-triazine, noted HLOMe,, have been synthesized from copper(II) acetate in CH2Cl2 and nickel(II) nitrate in acetone with an excess of previously deprotonated triazine. The new complexes [Cu(L-H)(2)].H2O (1), [Cu(L-OMe)(2)].2H(2)O (2), Na[Ni(L-H)(3)].2H(2)O.(CH3)(2)CO (3), and Na[Ni(L-OMe)(3)].2H(2)O (4) were isolated as pure solids and characterized by IR, UV-Vis. elemental analysis and mass spectra. Copper(II) complexes 1 and 2 were studied by EPR, in frozen solutions. In accordance with the spectroscopic data obtained by UV-Vis, the stoichiometry of the complexes was found to be 1:2 for Cu2+:L-H.OMe, with a square planar environment for the metal centre. Crystals of HLOMe and 3 were obtained and studied by single crystal X-ray diffraction. The structure of HLOMe exhibits a strong deviation from planarity of the two p-methoxyphenyl rings with respect to the triazine ring while the 2-hydroxyphenyl fragment is almost coplanar. Intramolecular hydrogen bonding between one of the N atoms of the triazine ring and the phenol can explain this restraint. For 3, three L-H bidentate triazines are coordinated to the nickel ion in a distorted octahedral manner. (C) 2003 Elsevier B.V. All rights reserved.
• TAYLOR, EDWARD C.;FRENCH, LARRY G., J. ORG. CHEM., 54,(1989) N, C. 1245-1249
  作者：TAYLOR, EDWARD C.、FRENCH, LARRY G.

  DOI：——

  日期：——
• TAYLOR E. C.; FRENCH L. G., TETRAHEDRON LETT., 27,(1986) N 18, 1967-1970
  作者：TAYLOR E. C.、 FRENCH L. G.

  DOI：——

  日期：——
• Athappan, PR.; Saroja, P. Mary; Rajagopal, G., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1995, vol. 34, # 2, p. 152 - 153
  作者：Athappan, PR.、Saroja, P. Mary、Rajagopal, G.

  DOI：——

  日期：——