4,6-Diphenyl-1,2,3-triazin | 99214-47-8

• 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: 4,6-Diphenyl-1,2,3-triazin
• 英文别名: 4,6-Diphenyl-1,2,3-triazine；4,6-diphenyltriazine
• CAS: 99214-47-8
• 化学式: C₁₅H₁₁N₃
• 分子量: 233.272
• InChiKey: HHVGZHHLRBNWAD-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  434.0±48.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,6-Diphenyl-1,2,3-triazin 在 2,4,6-三甲基苯磺酰羟胺 、 potassium carbonate 作用下， 生成 (4,6-Diphenyltriazin-2-ium-2-yl)azanide
  参考文献：
  名称：

  Ohsawa, Akio; Arai, Heihachiro; Yamaguchi, Kentaro, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 10, p. 3759 - 3761

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二苯基吡唑 在 lead(IV) acetate 、 sodium hydroxide 、 calcium oxide 、 hydroxylamine-O-sulfonic acid 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 5.5h， 生成 4,6-Diphenyl-1,2,3-triazin
  参考文献：
  名称：

  Neunhoeffer, Hans; Clausen, Monika; Voetter, Hans-Dieter, Liebigs Annalen der Chemie, 1985, # 9, p. 1732 - 1751

  摘要：

  DOI：

文献信息

• Electrooxidation of N-aminopyrazoles.
  作者：Takashi ITOH、Kazuhiro NAGATA、Mamiko OKADA、Akio OHSAWA

  DOI：10.1248/cpb.38.1524

  日期：——

  N-Aminopyrazoles were oxidized by electrolysis in CH3CN to give 1, 2, 3-triazines and pyrazoles. The ratio of triazine formation increased when pyridine or H2O was added to the solvent. Reaction mechanisms were investigated by the application of electrochemical methods.

  在 CH3CN 中通过电解氧化 N-氨基吡唑可得到 1、2、3-三嗪和吡唑。在溶剂中加入吡啶或 H2O 时，生成三嗪的比例增加。应用电化学方法对反应机理进行了研究。
• PHOSPHORESCENT LIGHT-EMITTING COMPLEX AND USE IN LIGHT-EMITTING DEVICE
  申请人：Cambridge Display Technology Limited

  公开号：US20190202850A1

  公开（公告）日：2019-07-04

  A phosphorescent compound of formula (I): (Formula (I)) wherein: M is a transition metal; L in each occurrence is ON independently a mono- or poly-dentate ligand; R 1 is a C 4-20 alkyl comprising at least one tertiary carbon atom; R 2 is a linear, branched or cyclic C 1-20 alkyl group; R 3 is a linear, branched or cyclic C 1-20 alkyl group or a group of formula —(Ar 1 ) p wherein Ar 1 in each occurrence is an unsubstituted or substituted aryl or heteroaryl group and p is at least 1; R 4 is a group of formula —(Ar 2 ) q wherein Ar 2 in is an unsubstituted or substituted aryl or heteroaryl group and q is at least 1; R 5 is a substituent; w is 0 or a positive integer; x is at least 1; and y is 0 or a positive integer. The compound may be used as a blue light-emitting material in an organic light-emitting device.

  化学式（I）的磷光化合物：（化学式（I）），其中：M是过渡金属；每次出现的L独立地是一个单齿或多齿配体；R1是一个含有至少一个三级碳原子的C4-20烷基；R2是一个线性、支链或环状的C1-20烷基基团；R3是一个线性、支链或环状的C1-20烷基基团或一个具有式—（Ar1）p的基团，其中每次出现的Ar1是未取代或取代的芳基或杂环芳基基团，p至少为1；R4是一个具有式—（Ar2）q的基团，其中Ar2是未取代或取代的芳基或杂环芳基基团，q至少为1；R5是一个取代基；w为0或正整数；x至少为1；y为0或正整数。该化合物可用作有机发光器件中的蓝光发射材料。
• Vicarious Nucleophilic Substitution of Pyridines and 1,2,3-Triazines via Their Dicyanomethylide Derivatives.
  作者：Kazuhiro NAGATA、Takashi ITOH、Mamiko OKADA、Akio OHSAWA

  DOI：10.1248/cpb.41.1644

  日期：——

  Vicarious nucleophilic substitution using chloromethyl phenyl sulfone was applied to pyridinium and 1, 2, 3-triazinium dicyanomethylides to afford corresponding 4-substituted pyiridinium and 5-substituted triazinium dicyanomethylides, respectively. They were readily transformed to 4-phenylsulfonylmethylpyridines and 5-phenylsulfonylmethyltriazines by radical reaction.

  使用氯甲基苯砜对吡啶和 1，2，3-三嗪二氰基甲基化物进行了取代亲核取代，分别得到了相应的 4-取代吡啶和 5-取代三嗪二氰基甲基化物。通过自由基反应，它们很容易转化为 4-苯磺酰甲基吡啶和 5-苯磺酰甲基三嗪。
• The synthesis of 5-substituted 1,2,3-triazines with ketene silyl acetals and ceric ammonium nitrate.
  作者：Takashi ITOH、Yuji MATSUYA、Hiroshi HASEGAWA、Kazuhiro NAGATA、Mamiko OKADA、Akio OHSAWA

  DOI：10.1248/cpb.43.881

  日期：——

  Monocyclic 1, 2, 3-triazines were reacted with ketene silyl acetal or silyl enol ether in the presence of 1-chloroethyl chloroformate to give 5-substituted 2-(1-chloroethoxycarbonyl)-2, 5-dihydrotriazines. These dihydro-adducts were readily oxidized and hydrolyzed with ceric ammonium nitrate in CH3CN/H2O to afford 5-substituted triazines.

  单环1,2,3-三嗪与乙烯酮甲硅烷基缩醛或甲硅烷基烯醇醚在氯甲酸1-氯乙酯存在下反应，得到5-取代的2-(1-氯乙氧基羰基)-2,5-二氢三嗪。这些二氢加合物很容易被硝酸高铈铵在CH3CN/H2O中氧化和水解，得到5-取代的三嗪。
• A new entry to the synthesis of 5-substituted 1,2,3-triazines by reaction with silyl enol ethers and ceric ammonium nitrate
  作者：Takashi Itoh、Y�ji Matsuya、Hiroshi Hasegawa、Kazuhiro Nagata、Mamiko Okada、Akio Ohsawa

  DOI：10.1039/p19960002511

  日期：——

  Monocyclic 1,2,3-triazines have been allowed to react with silyl enol ether or ketene silyl acetal in the presence of 1-chloroethyl chloroformate to give 2-(1-chloroethoxycarbonyl)-5-substituted-2,5-dihydrotriazines in good yields. These dihydro adducts are oxidized by ceric ammonium nitrate in CH3CN–H2O to afford 5-substituted 1,2,3-triazines.

  单环 1,2,3-三嗪在氯甲酸 1-chloroethyl chloroformate 的存在下与硅基酚醚或酮基硅基缩醛反应，可以得到 2-(1-氯乙氧羰基)-5-取代的-2,5-二氢三嗪，收率很高。这些二氢加合物在 CH3CN-H2O 中被硝酸铈铵氧化，得到 5-取代的 1,2,3-三嗪。