N-[4-(4-iodophenyl)but-3-ynyl]quinazolin-4-amine | 1262025-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-[4-(4-iodophenyl)but-3-ynyl]quinazolin-4-amine
• CAS: 1262025-57-9
• 化学式: C₁₈H₁₄IN₃
• 分子量: 399.234
• InChiKey: QUMSVCDZASRMKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives
  申请人：Sakai Masaaki

  公开号：US20130296271A1

  公开（公告）日：2013-11-07

  Agri-horticultural pest control compositions having outstanding control effect on pests, in particular, agri-horticultural pests, which comprise as active ingredients one or more 4-(3-butynyl)aminopyrimidine derivatives represented by the general formula [I], namely, where R 1 is typically selected from among: a) phenyl c) —SiR 5 R 6 R 7 (R 5 , R 6 , and R 7 which may be the same or different represent a linear or branched alkyl having 1-6 carbon atoms, a linear or branched haloalkyl having 1-3 carbon atoms which is substituted by one halogen atom, a linear or branched cyanoalkyl having 1-3 carbon atoms which is substituted by one cyano group, and phenyl); d) hydropgen atom; R 2 typically represents a hydrogen atom; R 3 typically represents a hydrogen atom; R 4 represents a hydrogen atom and one or more agri-horticultural pest control compounds selected from among agri-horticultural antimicrobial compounds, say, multi-site contact active compouns, nucleic acids synthesis inhibitory active compounds, mitosis and cell divesion inhibitory active compounds, and/or agri-horticultural insecticidal, miticidal or nematicidal compounds, say, acetylcholinesterase inhibitors, GABA-gated chloride antagonists, and sodium channel modulators. Since the 4-(3-butynyl)aminopyrimidine derivatives and the existing antimicrobial active compounds and/or insecticidal active compounds are used in admixture, the 4-(3-butynyl)aminopyrimidine derivatives which are useful as pest control agents, particularly as agri-horticultural pest control agents, need be used in smaller amounts and yet their antimicrobial or insecticidal activity can be improved.

  农业园艺害虫控制组合物对害虫，特别是农业园艺害虫具有杰出的控制效果，其活性成分包括一种或多种由通式[I]表示的4-(3-丁炔基)氨基嘧啶衍生物，其中R1通常从以下中选择：a)苯基；b) -SiR5R6R7（R5、R6和R7可以相同也可以不同，代表具有1-6个碳原子的直链或支链烷基，具有1-3个碳原子的直链或支链卤代烷基，被一个卤原子取代，具有1-3个碳原子的直链或支链氰基烷基，被一个氰基取代，以及苯基）；d)氢原子；R2通常表示氢原子；R3通常表示氢原子；R4表示氢原子以及一种或多种从农业园艺抗微生物化合物中选择的农业园艺害虫控制化合物，比如，多位点接触活性化合物，核酸合成抑制活性化合物，有丝分裂和细胞分裂抑制活性化合物，和/或农业园艺杀虫、杀螨或杀线虫化合物，比如，乙酰胆碱酯酶抑制剂，GABA门控氯离子拮抗剂和钠通道调节剂。由于4-(3-丁炔基)氨基嘧啶衍生物和现有的抗微生物活性化合物和/或杀虫活性化合物混合使用，因此作为害虫控制剂，特别是作为农业园艺害虫控制剂有用的4-(3-丁炔基)氨基嘧啶衍生物需要以较小的量使用，但其抗微生物或杀虫活性可以得到改善。
• 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use
  申请人：Sakai Masaaki

  公开号：US20120136150A1

  公开（公告）日：2012-05-31

  Novel 4-(3-butynyl)aminopyrimidine derivatives represented by general formula [I] are useful as pest control agents. In general formula [I], R 1 is a mono- or bi-cyclic ring which may contain 0 to 3 heteroatoms, for example, phenyl or oxazolyl; R 2 is a hydrogen atom, —R, —OR, —C(O)OR, —C(O)NHR, —CONR 2 (wherein R is straight-chain or branched C 1-8 alkyl, or the like), hydroxyalkyl, or the like; R 3 is a hydrogen atom, a halogen atom, acyloxy represented by (straight-chain or branched C 1-8 aliphatic hydrocarbon group) —CO—O—, or the like; and R 4 is a hydrogen atom, a halogen atom, C 1-6 alkyl, or the like, or alternatively, R 4 and R 3 together with the carbon atoms on the pyrimidine ring may form a thiophene ring, a pyrrole ring, an imidazole ring, a benzene ring, a pyrimidine ring, a furan ring, a pyrazine ring, or a pyrrolidine ring.

  通式[I]所表示的新型4-(3-丁炔基)氨基嘧啶衍生物可用作杀虫剂。在通式[I]中，R1是一个单环或双环环，可能含有0至3个杂原子，例如苯基或噁唑基；R2是氢原子，-R，-OR，-C（O）OR，-C（O）NHR，-CONR2（其中R是直链或支链C1-8烷基等），羟基烷基或类似物；R3是氢原子，卤素原子，酰氧基（由（直链或支链C1-8脂肪烃基）-CO-O-等表示），或类似物；R4是氢原子，卤素原子，C1-6烷基或类似物，或者，R4和R3与嘧啶环上的碳原子一起形成噻吩环，吡咯环，咪唑环，苯环，嘧啶环，呋喃环，吡嗪环或吡咯烷环。
• 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE
  申请人：SDS Biotech K. K.

  公开号：EP2455371A1

  公开（公告）日：2012-05-23

  Novel 4-(3-butynyl)aminopyrimidine derivatives represented by general formula [I] are useful as pest control agents. In general formula [I], R1 is a mono- or bi-cyclic ring which may contain 0 to 3 heteroatoms, for example, phenyl or oxazolyl; R2 is a hydrogen atom, -R, -OR, -C(O)OR, -C(O)NHR, -CONR2 (wherein R is straight-chain or branched C1-8 alkyl, or the like), hydroxyalkyl, or the like; R3 is a hydrogen atom, a halogen atom, acyloxy represented by (straight-chain or branched C1-8 aliphatic hydrocarbon group) -CO-O-, or the like; and R4 is a hydrogen atom, a halogen atom, C1-6 alkyl, or the like, or alternatively, R4 and R3 together with the carbon atoms on the pyrimidine ring may form a thiophene ring, a pyrrole ring, an imidazole ring, a benzene ring, a pyrimidine ring, a furan ring, a pyrazine ring, or a pyrrolidine ring.

  通式[I]代表的新型 4-(3-丁炔基)氨基嘧啶衍生物可用作害虫防治剂。通式[I]中，R1 是单环或双环，可含有 0 至 3 个杂原子，例如苯基或噁唑基；R2 是氢原子、-R、-OR、-C(O)OR、-C(O)NHR、-CONR2（其中 R 是直链或支链 C1-8 烷基或类似物）、羟基烷基或类似物；R3 是氢原子、卤素原子、由（直链或支链 C1-8 脂肪族烃基）-CO-O- 代表的酰氧基或类似物；R4 是氢原子、卤素原子、C1-6 烷基或类似物，或者，R4 和 R3 与嘧啶环上的碳原子一起可形成噻吩环、吡咯环、咪唑环、苯环、嘧啶环、呋喃环、吡嗪环或吡咯烷环。
• US8586505B2
  申请人：——

  公开号：US8586505B2

  公开（公告）日：2013-11-19
• US9089139B2
  申请人：——

  公开号：US9089139B2

  公开（公告）日：2015-07-28