2-(3-Methyl-phenyl)-8-azapurin-6-on | 37761-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2-(3-Methyl-phenyl)-8-azapurin-6-on
• 英文别名: 5-m-tolyl-1,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one；5-(3-Methylphenyl)-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
• CAS: 37761-98-1
• 化学式: C₁₁H₉N₅O
• 分子量: 227.225
• InChiKey: HIIOYUXGBDJRLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-Methyl-phenyl)-5,6-diamino-3,4-dihydro-pyrimidin-4-on 、 sodium nitrite 以49%的产率得到
  参考文献：
  名称：

  BROUGHTON B. J.; CHAPLEN P.; KNOWLES P.; LUNT E.; MARSHALL S. M.; PAIN D.+, J. MED. CHEM. , 1975, 18, NO 11, 1117-1122

  摘要：

  DOI：

文献信息

• Triazolopyrimidine Compounds and Use Thereof for Controlling Harmful Fungi
  申请人：Blettner Carsten

  公开号：US20070249634A1

  公开（公告）日：2007-10-25

  The invention relates to the use of triazolopyrimidines of the formula I In which: R 1 , R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, alkadienyl, haloalkenyl, cycloalkenyl, halocycloalkenyl, alkynyl, haloalkynyl, C 3 -C 6 -cycloalkynyl, phenyl, naphthyl, or a five- to ten-membered saturated, partially unsaturated or aromatic heterocycle which contains one, two, three or four heteroatoms from the group consisting of O, N and S, where R 1 , R 2 may be substituted as defined in the description or R 1 and R 2 together with the nitrogen atom to which they are attached may form five- to eight-membered heterocyclyl or heteroaryl which is attached via nitrogen and may contain one, two or three further heteroatoms from the group consisting of O, N and S as ring members and/or may be substituted as defined in the description; L independently of one another are halogen, alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyloxy, cyano, C(═O)A 1 , S(═O) m A 2 , NR c R d or NR c —(C═O)—R d , where A 1 , A 2 , R c , R d and m are as defined in the description; L 1 is halogen, alkyl or haloalkyl; L 2 is nitro, a group —C(S)NR 3 R 4 , a group —C(═N—OR 5 )(NR 6 R 7 ) or a group —C(═N—NR 8 R 9 )(NR 10 OR 11 ); X is halogen, cyano, alkyl, alkoxy, haloalkyl or haloalkoxy; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are independently of one another selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl and alkynyl, where the 4 last-mentioned radicals may be substituted as defined in the description; or R 3 and R 4 , or R 6 and R 7 , or R 8 and R 9 or R 10 and R 11 together with the nitrogen atom to which they are attached form a four, five, or six-membered saturated or partially unsaturated ring which may be substituted as defined in the description; n is 0, 1, 2 or 3; and the agriculturally acceptable salts thereof, novel triazolopyrimidines, crop protection compositions comprising at least one compound of the formula I and at least one solid or liquid carrier, and a method for controlling phytopathogenic harmful fungi.

  本发明涉及使用式IIn的三唑嘧啶，其中：R1、R2为氢、烷基、卤代烷基、环烷基、卤代环烷基、烯基、烯二烯基、卤代烯基、环烯基、卤代环烯基、炔基、卤代炔基、C3-C6环炔基、苯基、萘基或含有O、N和S组成的五至十元饱和、部分不饱和或芳香杂环，其中R1、R2可以如描述中所定义地被取代，或者R1和R2与它们所连接的氮原子一起可以形成通过氮连接的五至八元杂环或杂芳基，该杂环或杂芳基可以作为环成员包含来自O、N和S组的一个、两个或三个进一步的杂原子和/或可以如描述中所定义地被取代；L彼此独立地是卤素、烷基、卤代烷基、烷氧基、卤代烷氧基、烯氧基、氰基、C（═O）A1、S（═O）mA2、NRcRd或NRc—（C═O）—Rd，其中A1、A2、Rc、Rd和m如描述中所定义；L1是卤素、烷基或卤代烷基；L2是硝基、一个基团—C（S）NR3R4、一个基团—C（═N—OR5）（NR6R7）或一个基团—C（═N—NR8R9）（NR10OR11）；X是卤素、氰基、烷基、烷氧基、卤代烷基或卤代烷氧基；R3、R4、R5、R6、R7、R8、R9、R10和R11彼此独立地从氢、烷基、环烷基、烯基和炔基的组中选择，其中最后4种基团可以如描述中所定义地被取代；或者R3和R4，或R6和R7，或R8和R9或R10和R11与它们所连接的氮原子一起形成一个四元、五元或六元的饱和或部分不饱和环，该环可以如描述中所定义地被取代；n为0、1、2或3；以及其农业上可接受的盐，新型三唑嘧啶，包含式I中至少一种化合物和至少一种固体或液体载体的作物保护组合物，以及控制植物病原真菌的方法。