N²,N⁴,6-triphenyl-1,3,5-triazine-2,4-diamine | 1973-02-0

• 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: N²,N⁴,6-triphenyl-1,3,5-triazine-2,4-diamine
• 英文别名: 2,4-bis(phenylamino)-6-phenyl-1,3,5-triazine；6,N,N'-triphenyl-[1,3,5]triazine-2,4-diamine；2,4-Dianilino-6-phenyl-1,3,5-triazin；2-Phenyl-4.6-dianilino-s-triazin；2-N,4-N,6-triphenyl-1,3,5-triazine-2,4-diamine
• CAS: 1973-02-0
• 化学式: C₂₁H₁₇N₅
• 分子量: 339.399
• InChiKey: SIHIUUBTVNKMNE-UHFFFAOYSA-N

物化性质

• 沸点：
  568.0±33.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-carbamoyl-N'-benzoyl-S-methylisothiourea 在 2,3-二甲基苯胺 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 31.0h， 生成 N²,N⁴,6-triphenyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of 1,3,5-Triazine Derivatives by the Reaction of S,S'-Dimethyl N-Cyanocarbonimidodithioate with Amides

  摘要：

  S,S'-Dimethyl N-cyanocarbonimidodithioate (1) reacted with amides (2) in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide to give the corresponding N-acyl-N'-carbamoyl-S-methylisothioureas (3). Refluxing of 3 in methanol gave the corresponding cyclized product, 1,3,5-triazin-2(1H)-one derivatives (4). Compounds (4) were found to be useful intermediates for the synthesis of trisubstituted 1,3,5-triazines.

  DOI：

  10.3987/com-95-7374

文献信息

• Ruthenium-catalyzed synthesis of tri-substituted 1,3,5-triazines from alcohols and biguanides
  作者：Ming Zeng、Tao Wang、Dong-Mei Cui、Chen Zhang

  DOI：10.1039/c6nj01620k

  日期：——

  An efficient ruthenium-catalyzed synthesis of tri-substituted 1,3,5-triazines from alcohols and biguanides under mild conditions has been developed. The reaction occurred in moderate to good yields and tolerated benzyl alcohol containing functionalities such as halogens. Monosubstituted to tetrasubstituted biguanidines also afforded the desired products.

  已经开发了在温和条件下由醇和双胍有效钌催化合成三取代1,3,5-三嗪的方法。该反应以中等至良好的收率和容许的含苄醇的官能团如卤素发生。单取代至四取代的双胍也提供了所需的产物。
• Chromium-Catalyzed Cross-Coupling of Methyl Ketones with Cyclic Ketones toward the Selective Synthesis of β-Branched β,γ-Unsaturated Ketones
  作者：Priyanka Adhikari、Nitumoni Hazarika、Kalishankar Bhattacharyya、Animesh Das

  DOI：10.1021/acs.orglett.3c03960

  日期：2024.1.12

  Chromium-catalyzed cross-coupling of methyl ketones with cyclic ketones to β-branched β,γ-unsaturated ketones are reported. Interestingly, single-crossed aldol condensation products are formed, even in reactions in which a mixture of products is possible. The reaction is highly chemoselective and regioselective. This catalytic route gives a unique opportunity to integrate the chemistry of the synthetic

  据报道，甲基酮与环酮在铬催化下交叉偶联生成 β-支链 β,γ-不饱和酮。有趣的是，即使在可能存在产物混合物的反应中，也会形成单交叉羟醛缩合产物。该反应具有高度化学选择性和区域选择性。这种催化路线提供了一个独特的机会，将酮的合成挑战交叉偶联反应和烯烃迁移反应的化学集成到反应釜中。
• YUKI YASUO; INOUE KATSUHIRO, NIPPON KAGAKU KAISHI, J. CHEM. SOC. JAP., CHEM. AND IND. CHEM. <KGKZ-A7>,+
  作者：YUKI YASUO、 INOUE KATSUHIRO

  DOI：——

  日期：——
• US4140658A
  申请人：——

  公开号：US4140658A

  公开（公告）日：1979-02-20
• Synthesis of 1,3,5-Triazine Derivatives by the Reaction of S,S'-Dimethyl N-Cyanocarbonimidodithioate with Amides
  作者：Shinya Kohra、Kazuo Ueda、Yoshinori Tominaga

  DOI：10.3987/com-95-7374

  日期：——

  S,S'-Dimethyl N-cyanocarbonimidodithioate (1) reacted with amides (2) in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide to give the corresponding N-acyl-N'-carbamoyl-S-methylisothioureas (3). Refluxing of 3 in methanol gave the corresponding cyclized product, 1,3,5-triazin-2(1H)-one derivatives (4). Compounds (4) were found to be useful intermediates for the synthesis of trisubstituted 1,3,5-triazines.