1-(2-([2,2'-bipyridin]-5-yl)phenyl)-3-hexylurea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-([2,2'-bipyridin]-5-yl)phenyl)-3-hexylurea
• 英文别名: 1-(2-([2,2'-Bipyridin]-5-yl)phenyl)-3-hexylurea；1-hexyl-3-[2-(6-pyridin-2-ylpyridin-3-yl)phenyl]urea
• 化学式: C₂₃H₂₆N₄O
• 分子量: 374.486
• InChiKey: HAHUCLKECVDJEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• BIPYRIDYL COMPOUND
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US20170001960A1

  公开（公告）日：2017-01-05

  There are provided a compound capable of being a novel ligand allowing regioselective borylation to be performed in the aromatic borylation reaction, and a catalyst using the same compound. There is provided a bipyridyl compound represented by a general formula ( 1 ): (wherein A represents a single bond, a vinylene group or an ethynylene group; X represents an oxygen atom or a sulfur atom; n pieces of R 1 may be the same or different, and R 1 represents a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted aryloxy group, an optionally substituted amino group, a cyano group, a nitro group, or an alkoxycarbonyl group, or two adjacent R 1 may form a saturated or unsaturated ring structure optionally containing a hetero atom together with the carbon atoms bonded to the two R 1 ; R 2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, or an optionally substituted aryloxy group; and n represents a number of 1 to 4 ).

  提供了一种化合物，可以作为一种新型配体，在芳基硼化反应中实现区域选择性硼化，并提供了使用该化合物的催化剂。提供了一种由通式（1）表示的双吡啶化合物：（其中A代表单键、乙烯基或乙炔基；X代表氧原子或硫原子；n个R1可能相同或不同，R1代表氢原子、卤素原子、可选择取代的碳氢基团、可选择取代的烷氧基团、可选择取代的芳氧基团、可选择取代的氨基团、氰基、亚硝基或烷氧羰基，或者两个相邻的R1可能形成一个饱和或不饱和环结构，该环结构与两个R1键合的碳原子一起可能含有一个杂原子；R2代表氢原子、可选择取代的碳氢基团、可选择取代的烷氧基团或可选择取代的芳氧基团；n代表1到4的数字）。
• Bipyridyl compound
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US10280142B2

  公开（公告）日：2019-05-07

  There are provided a compound capable of being a novel ligand allowing regioselective borylation to be performed in the aromatic borylation reaction, and a catalyst using the same compound. There is provided a bipyridyl compound represented by a general formula (1): (wherein A represents a single bond, a vinylene group or an ethynylene group; X represents an oxygen atom or a sulfur atom; n pieces of R1 may be the same or different, and R1 represents a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted aryloxy group, an optionally substituted amino group, a cyano group, a nitro group, or an alkoxycarbonyl group, or two adjacent R1 may form a saturated or unsaturated ring structure optionally containing a hetero atom together with the carbon atoms bonded to the two R1; R2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, or an optionally substituted aryloxy group; and n represents a number of 1 to 4).

  本发明提供了一种可作为新型配体的化合物，允许在芳香硼酸化反应中进行区域选择性硼酸化反应，并提供了一种使用该化合物的催化剂。提供了一种由通式（1）表示的双吡啶化合物：(其中 A 代表单键、乙烯基或乙炔基； X 代表氧原子或硫原子； n 个 R1 可以相同或不同，且 R1 代表氢原子、卤素原子、任选取代的烃基、任选取代的烷氧基、任选取代的芳氧基、任选取代的氨基、氰基、硝基或烷氧基羰基，或两个相邻的 R1 可以形成一个饱和或不饱和环结构，其中任选含有一个杂原子以及与两个 R1 键合的碳原子； R2 代表氢原子、任选取代的烃基、任选取代的烷氧基或任选取代的芳氧基；以及 n 代表 1 至 4 的数字）。
• US9908852B2
  申请人：——

  公开号：US9908852B2

  公开（公告）日：2018-03-06