2,4-二氯-6-(3-甲氧基-苯基)-[1,3,5]三嗪 | 102528-16-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,4-二氯-6-(3-甲氧基-苯基)-[1,3,5]三嗪
• 英文名称: 2,4-dichloro-6-(3-methoxyphenyl)-1,3,5-triazine
• 英文别名: 2,4-dichloro-6-(3-methoxy-phenyl)-[1,3,5]triazine
• CAS: 102528-16-5
• 化学式: C₁₀H₇Cl₂N₃O
• 分子量: 256.091
• InChiKey: HKTVXKJUBKZIFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-(3-甲氧基-苯基)-[1,3,5]三嗪 、 对氨基苯酚 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以99%的产率得到4-[4-chloro-6-(3-methoxy-phenyl)-[1,3,5]triazin-2-ylamino]-phenol
  参考文献：
  名称：

  [EN] PYRIMIDINES, TRIAZINES AND THEIR USE AS KINASE INHIBITORS
  [FR] PYRIMIDINES, TRIAZINES ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES

  摘要：

  公开号：

  WO2009118567A3
• 作为产物：
  描述：

  三聚氯氰 、 (3-methoxyphenyl)magnesium bromide 以 四氢呋喃 为溶剂， 生成 2,4-二氯-6-(3-甲氧基-苯基)-[1,3,5]三嗪
  参考文献：
  名称：

  Insecticidal Triazines and Pyrimidines

  摘要：

  本发明描述了新型三嗪、相关的嘧啶及其在控制昆虫方面的应用。该发明还包括新的合成方法、制备化合物的中间体、含有该化合物的杀虫剂组合物以及使用该化合物控制昆虫的方法。

  公开号：

  US20120022066A1

文献信息

• A Sequential Suzuki Coupling Approach to Unsymmetrical Aryl <i>s</i> -Triazines from Cyanuric Chloride
  作者：Chen Wang、Jiehui Zhang、Jie Tang、Gang Zou

  DOI：10.1002/adsc.201700260

  日期：2017.7.17

  developed for efficient synthesis of unsymmetrical aryl s‐triazines via highly selective sequential Suzuki coupling of cyanuric chloride (2,4,6‐trichlorotriazine) with aryl or vinyl boronic or diarylborinic acids catalysed by 0.1–0.5 mol% Pd(PPh3)2Cl2 under mild conditions. The second and third Suzuki couplings for unsymmetrically trisubstituted aryl s‐triazines could be more practically conducted in

  已开发出一种实用的方法，可通过氰尿酰氯（2,4,6-三氯三嗪）与0.1-0.5 mol％Pd催化的芳基或乙烯基硼或二芳基硼酸的高选择性顺序Suzuki偶联，有效合成不对称芳基s-三嗪PPh 3）2 Cl 2在温和的条件下。第二和第三Suzuki偶联为不对称的三取代的芳基小号-triazines可以以一锅法进行更实际地进行。意外地发现，芳基硼酸苯环上的吸电子共轭基团完全阻断了偶联，同时可以克服来自邻位给电子取代基的空间位阻。
• PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS
  申请人：Wang Shudong

  公开号：US20110092490A1

  公开（公告）日：2011-04-21

  A compound of formula (I) and its pharmaceutically acceptable salts or solvates and physiologically hydrolysable, solubilising or immobilisable derivatives wherein: Ar is a 5-membered heteroaryl ring wherein X 1 and X 2 are one or two heteroatoms or Ar is a 6-membered aromatic ring, wherein heteroatoms are selected from S, O, N, Se; Z is NH, NHCO, NHSO 2 , N-alkyl, CH 2 NH, CH 2 N-alkyl, CH 2 , CH 2 CH 2 , CH═CH, CH 2 CONH, SO 2 , or SO; Y is N CR 3 ; R 1 , R 2 , R 5 , R 6 , R 7 , R 8 and R 9 are each independently H, or a substituent; R 3 , when present, is selected from alkyl and a substituent, with the proviso that when Y is CR 3 , Ar is a 5-membered heterocycle comprising one or two N heteroatoms and Z is NH, then R3 is selected from C 3+ alkyl and a substituent; R 4 is selected from H, alkyl and R 13 as hereinbefore defined, with the proviso that when R 3 is absent, R 4 is selected from alkyl and a substituent; processes for the preparation thereof, intermediates and precursors therefore and the use thereof as a medicament, and therapeutic compositions comprising the compound.

  化合物式（I）及其药学上可接受的盐或溶剂化合物和生理水解、溶解或固定化衍生物，其中：Ar是一个5元杂环芳基环，其中X1和X2是一个或两个杂原子，或Ar是一个6元芳香环，其中杂原子选自S、O、N、Se；Z是NH、NHCO、NHSO2、N-烷基、CH2NH、CH2N-烷基、CH2、CH2CH2、CH═CH、CH2CONH、SO2或SO；Y是N CR3；R1、R2、R5、R6、R7、R8和R9各自独立地为H或取代基；R3在存在时，选自烷基和取代基，但当Y为CR3，Ar为一个包含一个或两个N杂原子的5元杂环，并且Z为NH时，R3选自C3+烷基和取代基；R4选自H、烷基和如上所述的R13，但当R3不存在时，R4选自烷基和取代基；其制备方法、中间体和前体以及作为药物的用途和包含该化合物的治疗组合物。
• Insecticidal triazines and pyrimidines
  申请人：Kennedy Robert M.

  公开号：US08389718B2

  公开（公告）日：2013-03-05

  The present invention describes novel triazines, their related pyrimidines and their use in controlling insects. This invention also includes new synthetic procedures, intermediates for preparing the compounds, pesticide compositions containing the compounds, and methods of controlling insects using the compounds.

  本发明描述了新型三嗪，其相关的嘧啶并用于控制昆虫。本发明还包括新的合成程序，制备化合物的中间体，含有该化合物的杀虫剂组合物以及使用该化合物控制昆虫的方法。
• [EN] PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS<br/>[FR] PYRIMIDINES, TRIAZINES ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES
  申请人：UNIV NOTTINGHAM

  公开号：WO2009118567A2

  公开（公告）日：2009-10-01

  A compound of formula (I) and its pharmaceutically acceptable salts or solvates and physiologically hydrolysable, solubilising or immobilisable derivatives wherein: Ar is a 5-membered heteroaryl ring wherein X1 and X2 are one or two heteroatoms or Ar is a 6-membered aromatic ring, wherein heteroatoms are selected from S, O, N, Se; Z is NH, NHCO, NHSO2, N-alkyl, CH2NH, CH2N-alkyl, CH2, CH2CH2, CH=CH, CH2CONH, SO2, or SO; Y is N or CR3; R1, R2, R5, R6, R7, R8 and R9 are each independently H, or a substituent; R3, when present, is selected from alkyl and a substituent, with the proviso that when Y is CR3, Ar is a 5- membered heterocycle comprising one or two N heteroatoms and Z is NH, then R3 is selected from C3+ alkyl and a substituent; R4 is selected from H, alkyl and R13 as hereinbefore defined, with the proviso that when R3 is absent, R4 is selected from alkyl and a substituent; processes for the preparation thereof, intermediates and precursors therefore and the use thereof as a medicament, and therapeutic compositions comprising the compound.
• [EN] PYRIMIDINES, TRIAZINES AND THEIR USE AS KINASE INHIBITORS<br/>[FR] PYRIMIDINES, TRIAZINES ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES
  申请人：UNIV NOTTINGHAM

  公开号：WO2009118567A3

  公开（公告）日：2010-03-11