6-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-4-hydroxycoumarin | 136786-22-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-(4-chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-4-hydroxycoumarin
• 英文别名: 6-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-4-hydroxychromen-2-one
• CAS: 136786-22-6
• 化学式: C₁₄H₈ClF₃N₂O₄
• 分子量: 360.677
• InChiKey: STJWKLMZAUZWAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Benzisoxazole derivatives
  申请人：ZENECA LIMITED

  公开号：EP0442655A2

  公开（公告）日：1991-08-21

  A herbicidal compound of formula (I) : in which Ar is an optionally subsitituted aryl or heterocyclic ring system; R1 and R2 are independently selected from H, optionally substituted alkyl, alkenyl or alkynyl, halogen, NRaRb, or R1 and R2 together with the carbon to which they are attached form an optionally substituted alkenyl or cycloalkyl group; R3 is C02R4, CN, COR4, CH20R4, CH(OH)R4, CH(OR4)RS, CH20S02R4, CH20S03R4, CH20NR6R7, CSNH2, COSR4, CSOR4, CONHSO2R4, CONR6R7, CONHNR6R7, CONHN+R6R7R8 Y-, CO2-M+ or COON=CR6R7; M is an agriculturally acceptable cation; Y- is an agriculturally acceptable anion; R4, and R5 are independently selected from H or an optionally substituted alkyl, aryl, alkenyl or alkynyl group; R6, R7, R8, R9, Ra and Rb are independently selected from H or an optionally substituted alkyl, alkenyl, aryl or alkynyl group or any two of R6, R7, R8, R9, Ra and Rb together with the atom to which they are attached form a cycloalkyl or heterocyclic ring: R6 and R7 may also be a heterocyclic ring; W is O or NR10 where R10 is H or lower alkyl; X is (CHz)n, CH=CH, CH(ORc)CH2, COCH2; where Rc is H or an optionally substituted alkyl, aryl, alkynyl or alkynyl group; and n is 0, 1 or 2. Process for the preparation of these compounds and compositions containing them are also described.

  式(I)的除草化合物： 其中 Ar 是任选取代的芳基或杂环环系； R1 和 R2 独立地选自 H、任选取代的烷基、烯基或炔基、卤素、NRaRb，或 R1 和 R2 与它们所连接的碳一起形成任选取代的烯基或环烷基； R3 是 C02R4、CN、COR4、 0R4、CH(OH)R4、CH(OR4)RS、 0S02R4、 0S03R4、 0NR6R7、CSNH2、COSR4、CSOR4、CONHSO2R4、CONR6R7、CONHNR6R7、CONHN+R6R7R8 Y-、CO2-M+ 或 COON=CR6R7； M 是农业上可接受的阳离子； Y- 是农业上可接受的阴离子； R4和R5独立地选自H或任选取代的烷基、芳基、烯基或炔基； R6、R7、R8、R9、Ra和Rb独立地选自H或任选取代的烷基、烯基、芳基或炔基，或 R6、R7、R8、R9、Ra和Rb中的任意两个与它们所连接的原子一起形成一个 环烷基或杂环： R6 和 R7 也可以是杂环； W 是 O 或 NR10，其中 R10 是 H 或低级烷基； X 是 (CHz)n、CH=CH、CH(ORc)CH2、CO ； 其中 Rc 是 H 或任选取代的烷基、芳基、炔基或炔基；以及 n 是 0、1 或 2。 此外，还描述了这些化合物的制备过程以及含有这些化合物的组合物。
• US5176737A
  申请人：——

  公开号：US5176737A

  公开（公告）日：1993-01-05