1-环丙基-4-(4-乙炔基苯基)-3,5,8-三氧杂双环[2.2.2]辛烷 | 131505-50-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-环丙基-4-(4-乙炔基苯基)-3,5,8-三氧杂双环[2.2.2]辛烷
• 英文名称: 4-Cyclopropyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
• 英文别名: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-cyclopropyl-1-(4-ethynylphenyl)-
• CAS: 131505-50-5
• 化学式: C₁₆H₁₆O₃
• 分子量: 256.301
• InChiKey: NOAIQTBLUUNEGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Pesticidal compounds
  申请人：ROUSSEL-UCLAF

  公开号：EP0380312A1

  公开（公告）日：1990-08-01

  The present invention provides novel compounds of the formula (I): wherein R is a phenyl group, substituted by 1 to 5 fluorine atoms and optionally substituted at the para position by methyl or chloro or R is a group being a three of four membered ring, where R⁴ is oxygen or a group CR⁷R⁸ wherein groups R⁷, R⁸ are the same or different and each is hydrogen, fluoro, chloro or bromo or methyl or ethyl optionally substituted by 1 to 3 fluoro atoms, and when is a three-membered ring R⁵ is a group CR7aR8a wherein R7a, R8a are the same or different and each is hydrogen, fluoro, chloro or bromo or methyl or ethyl optionally substituted by 1 to 3 fluoro atoms, or when is a four membered ring R⁵ is a group CR7aR8aCR⁹R¹⁰ wherein R7a, R8a are as hereinbefore defined and R⁹ and R¹⁰ are the same or different and each is hydrogen, fluoro, chloro or bromo or methyl or ethyl optionally substituted by 1 to 3 fluoro atoms; R⁶ is hydrogen, fluoro, chloro or methyl; R¹ and R² may be the same or different, and each is hydrogen, halo, or a C₁₋₃ aliphatic group optionally substituted by halo, cyano, C₂₋₅ carbalkoxy, C₁₋₄ alkoxy, or a group S(O)m R¹¹ wherein m is 0, 1 or 2 and R¹¹ is C₁₋₄ alkyl; cyano, gem dimethyl, or C₂₋₅ carbalkoxy; R³ contains between 3 and 18 carbon atoms and is a group R¹² wherein R¹² is a C₁₋₁₃ non-aromatic hydrocarbyl group, optionally substituted by a C₂₋₄ carbalkoxy or cyano group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R¹³ which are the same or different and each contains one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R³ is a 6-membered aromatic ring substituted by cyano and/or by one to five halo atoms and/or by one to three C₁₋₄ haloalkyl groups and/or by a group -C≡CH, C≡C-halo or -C≡C-R¹² wherein R¹² is as hereinbefore defined or -C≡C-R¹⁴ wherein R¹⁴ is a group S(O)qR¹⁵ wherein R¹⁵ is methyl, ethyl or trifluoromethyl or R¹⁴ is SiR¹⁶R¹⁷R¹⁸ wherein R¹⁶ and R¹⁷ are the same or different and are each C₁₋₄ aliphatic groups and R¹⁸ is a C₁₋₄ aliphatic group or phenyl provided that R¹⁶, R¹⁷ and R¹⁸ do not contain more than 10 carbon atoms in total; and Y, Y¹ and Y² are the same or different and are each selected from oxygen and S(O)t where t is 0, 1 or 2, processes for their preparation, formulations containing them and their use in controlling pest infestation.

  本发明提供了式 (I) 的新型化合物： 其中 R 是一个苯基，被 1 至 5 个氟原子取代，并可选在对位被甲基或氯取代，或 R 是一个基团 是三或四元环，其中 R⁴ 是氧或基团 CR⁷R⁸，其中基团 R⁷、R⁸ 相同或不同，且各自是氢、氟、氯或溴或甲基或乙基，可选择被 1 至 3 个氟原子取代，当 是三元环时，R⁵ 是基团 CR7aR8a，其中 R7a、R8a 相同或不同，且各自为氢、氟、氯或溴或甲基或乙基，任选被 1 至 3 个氟原子取代；或 是四元环时，R⁵ 是一个基团 CR7aR8aCR𠞙R¹⁰ 其中 R7a、R8a 如前定义，R⁹ 和 R¹⁰ 相同或不同，且各自为氢、氟、氯或溴或甲基或乙基，任选被 1 至 3 个氟原子取代；R⁶ 是氢、氟、氯或甲基； R¹ 和 R² 可以相同或不同，并且各自是氢、卤素或任选被卤素取代的 C₁₋₃ 脂肪族基团、氰基、C₂₋₅ 碳烷氧基、C₁₋₄ 烷氧基或基团 S(O)m R¹¹，其中 m 为 0、1 或 2，且 R¹¹ 为 C₁₋₄ 烷基；氰基、二甲基或 C₂₋₅ 碳烷氧基；R³ 含有 3 至 18 个碳原子，是一个 R¹² 基团，其中 R¹² 是一个 C₁₋₁₃ 非芳香族烃基、可选择被一个 C₂₋₄烷氧基或氰基和/或一个或两个羟基和/或一至五个相同或不同的卤原子和/或一至三个相同或不同的基团 R¹³取代，每个基团含有一至四个相同或不同的杂原子，这些杂原子选自氧、硫、氮和硅、1 至 10 个碳原子和可选的 1 至 6 个氟原子或氯原子，或 R³ 是被氰基和/或 1 至 5 个卤原子和/或 1 至 3 个 C₁₋₄ 卤烷基和/或基团 -C≡CH、C≡C-卤代或-C≡C-R¹²，其中R¹²如前定义；或-C≡C-R¹⁴，其中R¹⁴是一个基团S(O)qR¹⁵，其中R¹⁵是甲基、乙基或三氟甲基或 R¹⁴ 是 SiR¹⁶R¹⁷R¹⁸ 其中 R¹⁶ 和 R¹⁷ 相同或不同，并且各自是 C₁₋₄ 脂肪族基团，R¹⁸ 是 C₁₋₄ 脂肪族基团或苯基，条件是 R¹⁶、R¹⁷ 和 R¹⁸ 所含的碳原子总数不超过 10 个；Y、Y¹ 和 Y² 可以相同或不同，并且各自选自氧和 S(O)t（其中 t 为 0、1 或 2）、其制备工艺、含有它们的制剂以及它们在控制虫害中的用途。
• US5204333A
  申请人：——

  公开号：US5204333A

  公开（公告）日：1993-04-20