3-(2-(4-Benzyloxy-benzyl)-2H-tetrazol-5-yl)-pyridin-2,6-diamine | 1013645-05-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-(4-Benzyloxy-benzyl)-2H-tetrazol-5-yl)-pyridin-2,6-diamine
• 英文别名: 3-[2-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-yl]pyridine-2,6-diamine
• CAS: 1013645-05-0
• 化学式: C₂₀H₁₉N₇O
• 分子量: 373.417
• InChiKey: GDKJWHVHZXVYJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(2H-tetrazol-5-yl)-pyridin-2,6-diamine 、 4-苄氧基氯化苄 在 sodium hydride 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 3-(2-(4-Benzyloxy-benzyl)-2H-tetrazol-5-yl)-pyridin-2,6-diamine
  参考文献：
  名称：

  PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME

  摘要：

  公开号：

  EP2065377B1

文献信息

• AGRICULTURAL COMPOSITION
  申请人：Matsuzaki Yuichi

  公开号：US20110201649A1

  公开（公告）日：2011-08-18

  Provided is an agricultural composition comprising a compound represented by the formula (I) or a salt thereof or a hydrate thereof, for controlling a plant disease due to a plant pathogen: [wherein, G represents a di-valent aromatic hetero 5-membered ring optionally having a halogen atom or C1 to 3 alkyl group (with the proviso that a hetero atom of the aromatic hetero 5-membered ring is a nitrogen atom, oxygen atom or sulfur atom), R 1 represents a hydrogen atom or amino group, R 2 , R 3 and R 4 represent each independently a hydrogen atom or the like, and E represents an optionally substituted 5 to 10-membered heterocyclic group or C6-10 aryl group.].

  提供的是一种农业组合物，包括由式(I)或其盐或水合物表示的化合物，用于控制由植物病原体引起的植物病害：[其中，G代表一个二价芳香杂环五元环，可选地具有卤原子或C1至3烷基（前提是芳香杂环五元环的杂原子是氮原子、氧原子或硫原子），R1代表氢原子或氨基，R2、R3和R4分别独立地代表氢原子或类似物，E代表可选地取代的5到10元杂环基或C6-10芳基。]。
• Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same
  申请人：Eisai R&D Managment Co., Ltd.

  公开号：US08183264B2

  公开（公告）日：2012-05-22

  The present invention provides an antifungal agent that has excellent antifungal action, and is also excellent in terms of its properties, safety, and metabolic stability. The present invention discloses a compound represented by the following formula I or a salt thereof, and an antifungal agent comprising the compound or the salt: wherein R1 represents a hydrogen atom, a halogen atom, an amino group, a C1-6 alkyl group, a C1-6 alkoxy group, or a C1-6-alkoxy-C1-6-alkyl group; R2 represents a hydrogen atom or an amino group; X, Y, Z, and W independently represent a nitrogen atom, an oxygen atom, a sulfur atom, or —CH—, provided that at least two among X, Y, and W are nitrogen atoms; the ring A represents a 5- or 6-membered heteroaryl ring or a benzene ring; Q represents a methylene group, an oxygen atom, —CH2O—, —OCH2—, —NH—, —NHCH2—, or —CH2NH—; and R3 represents a C1-6 alkyl group, a C3-8 cycloalkyl group, a C6-10 aryl group, or a 5- or 6-membered heteroaryl group, each of which may have one or two substituents.

  本发明提供了一种具有优异的抗真菌作用、性质、安全性和代谢稳定性的抗真菌剂。本发明披露了以下式I或其盐所代表的化合物，以及包含该化合物或其盐的抗真菌剂：其中R1表示氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6-烷氧基-C1-6-烷基；R2表示氢原子或氨基；X、Y、Z和W独立地表示氮原子、氧原子、硫原子或-CH-，其中至少有两个是氮原子；环A表示5-或6-成员杂环芳基环或苯环；Q表示亚甲基、氧原子、-CH2O-、-OCH2-、-NH-、-NHCH2-或-CH2NH-；R3表示C1-6烷基、C3-8环烷基、C6-10芳基或5-或6-成员杂环基，每个基团可以有一个或两个取代基。
• COMPOSITION FOR AGRICULTURAL USE
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2345328A1

  公开（公告）日：2011-07-20

  Provided is an agricultural composition comprising a compound represented by the formula (I) or a salt thereof or a hydrate thereof, for controlling a plant disease due to a plant pathogen: [wherein, G represents a di-valent aromatic hetero 5-membered ring optionally having a halogen atom or C1 to 3 alkyl group (with the proviso that a hetero atom of the aromatic hetero 5-membered ring is a nitrogen atom, oxygen atom or sulfur atom), R1 represents a hydrogen atom or amino group, R2, R3 and R4 represent each independently a hydrogen atom or the like, and E represents an optionally substituted 5 to 10-membered heterocyclic group or C6-10 aryl group.].

  本发明提供了一种农用组合物，该组合物包含由式（I）代表的化合物或其盐或其水合物，用于控制由植物病原体引起的植物病害： [其中，G 代表可选具有卤素原子或 C1 至 3 烷基的二价芳香杂 5 元环（但芳香杂 5 元环的杂原子为氮原子、氧原子或硫原子），R1 代表氢原子或氨基，R2、R3 和 R4 各自独立地代表氢原子或类似物，E 代表可选取代的 5 至 10 元杂环基团或 C6-10 芳基。］
• US8183264B2
  申请人：——

  公开号：US8183264B2

  公开（公告）日：2012-05-22