2′-[(1S,2S)-1,1′-bicycloprop-2-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxanilide | 599194-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2′-[(1S,2S)-1,1′-bicycloprop-2-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxanilide
• 英文别名: cis-(1S,2S)-sedaxane；N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
• CAS: 599194-51-1
• 化学式: C₁₈H₁₉F₂N₃O
• 分子量: 331.365
• InChiKey: XQJQCBDIXRIYRP-QWHCGFSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-环丙基丙炔醇 在 咪唑 、 4-二甲氨基吡啶 、 Schwartz's reagent 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 2′-[(1S,2S)-1,1′-bicycloprop-2-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxanilide
  参考文献：
  名称：

  从可合成的丙炔基甲硅烷基醚一锅三步合成环丙基硼酸频哪醇酯

  摘要：

  简单的炔丙基甲硅烷基醚可以有效的一锅法转化为复杂的环丙基硼酸频哪醇酯。末端乙炔经历Schwartz试剂催化的硼氢化反应；随后加入更多的Schwartz试剂和路易斯酸介导的相邻甲硅烷基醚的活化作用，可使环化作用获得一系列环丙基硼酸频哪醇酯。范围包括芳族，脂族，季和螺取代的环丙基环，这些环丙基环可通过Suzuki偶联转化为一系列类似铅的取代环丙基芳基产品。

  DOI：

  10.1021/acs.orglett.7b01778

文献信息

• Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi, and Compositions Comprising Them
  申请人：Dietz Jochen

  公开号：US20090203700A1

  公开（公告）日：2009-08-13

  The present invention relates to azolylmethyloxiranes of the general formula I in which A or B is a 6-membered heteroaryl selected from the group consisting of pyridinyl, pyrimidinyl, pyrazinyl, pyridazinyl and triazinyl which is substituted by one to three of the following substituents: halogen, NO 2 , amino, C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyl, C 1 -C 4 -haloalkoxy, C 1 -C 4 -alkylamino, C 1 -C 4 -dialkylamino, thio or C 1 -C 4 -alkylthio, and the respective other substituent A or B is phenyl which is optionally substituted by one to three of the following substituents: halogen, NO 2 , amino, C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyl, C 1 -C 4 -haloalkoxy, C 1 -C 4 -alkylamino, C 1 -C 4 -dialkylamino, thio or C 1 -C 4 -alkylthio, and to the plant-compatible acid addition salts or metal salts thereof, to the use of the compounds of the formula I for controlling phytopathogenic fungi and to compositions comprising these compounds.

  本发明涉及通式I的唑基甲氧环氧烷，其中A或B是从吡啶基、嘧啶基、吡嗪基、吡啶并嗪基和三嗪基中选择的6-成员杂芳基，该杂芳基被以下取代基之一至三取代：卤素、NO2、氨基、C1-C4-烷基、C1-C4-烷氧基、C1-C4-卤代烷基、C1-C4-卤代烷氧基、C1-C4-烷基氨基、C1-C4-二烷基氨基、硫或C1-C4-烷基硫，另一取代基A或B是苯基，该苯基可以被以下取代基之一至三取代：卤素、NO2、氨基、C1-C4-烷基、C1-C4-烷氧基、C1-C4-卤代烷基、C1-C4-卤代烷氧基、C1-C4-烷基氨基、C1-C4-二烷基氨基、硫或C1-C4-烷基硫，以及与之相关的植物兼容性酸盐或金属盐，以及用于控制植物病原真菌的通式I化合物的用途和包含这些化合物的组合物。
• Azolylmethyloxiranes, their use for Controlling Phytopathogenic Fungi, and Compositions Comprising Them
  申请人：Renner Jens

  公开号：US20100087321A1

  公开（公告）日：2010-04-08

  The present invention relates to azolylmethyloxiranes of the general formula (I) in which A stands for phenyl which is optionally substituted by one to three of the following substituents: halogen, NO 2 , amino, C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyl, C 1 -C 4 -haloalkoxy, C 1 -C 4 -alkylamino, C 1 -C 4 -dialkylamino, thio or C 1 -C 4 -alkylthio, with the proviso that A does not stand for 2-methylphenyl, and also their plant-compatible acid addition salts or metal salts, and also to the use of the compounds of the formula I for controlling phytopathogenic fungi, and to compositions comprising them.

  本发明涉及通式（I）中的氮杂环丙氧基环氧烷，其中A代表苯基，该苯基可以选择地取代以下一种或多种取代基：卤素，NO2，氨基，C1-C4-烷基，C1-C4-烷氧基，C1-C4-卤代烷基，C1-C4-卤代烷氧基，C1-C4-烷基氨基，C1-C4-二烷基氨基，硫或C1-C4-烷基硫，条件是A不代表2-甲基苯基，以及它们的植物相容性酸盐或金属盐，以及用于控制植物病原真菌的通式I化合物的用途，以及包含它们的组合物。
• Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Agents Containing Said Compounds
  申请人：Dietz Jochen

  公开号：US20090197929A1

  公开（公告）日：2009-08-06

  The present invention relates to azolylmethyloxiranes of the general formula I in which A or B is a 5-membered heteroaryl selected from the group consisting of thienyl, furyl, pyrrolyl, pyrazolyl, imidazolyl, oxazolyl, thiazolyl, isoxazolyl and isothiazolyl which is substituted by one to three of the following substituents: halogen, NO 2 , amino, C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyl, C 1 -C 4 -haloalkoxy, C 1 -C 4 -alkylamino, C 1 -C 4 -dialkylamino, thio or C 1 -C 4 -alkylthio, and the respective other substituent A or B is phenyl which is optionally substituted by one to three of the following substituents: halogen, NO 2 , amino, C 1 -C 4 -alkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyl, C 1 -C 4 -haloalkoxy, C 1 -C 4 -alkylamino, C 1 -C 4 -dialkylamino, thio or C 1 -C 4 -alkylthio, and to the plant-compatible acid addition salts or metal salts thereof, to the use of the compounds of the formula I for controlling phytopathogenic fungi and to compositions comprising these compounds.

  本发明涉及通式I的唑基甲氧环氧乙烷，其中A或B是从噻吩基、呋喃基、吡咯基、吡唑基、咪唑基、噁唑基、噻唑基、异噁唑基和异噻唑基中选择的5-成员杂芳基，该基团被以下一种或三种取代基所取代：卤素、NO2、氨基、C1-C4-烷基、C1-C4-烷氧基、C1-C4-卤代烷基、C1-C4-卤代烷氧基、C1-C4-烷基氨基、C1-C4-二烷基氨基、硫醚或C1-C4-烷基硫醚；另一取代基A或B是苯基，该苯基可以选配地被以下一种或三种取代基所取代：卤素、NO2、氨基、C1-C4-烷基、C1-C4-烷氧基、C1-C4-卤代烷基、C1-C4-卤代烷氧基、C1-C4-烷基氨基、C1-C4-二烷基氨基、硫醚或C1-C4-烷基硫醚；以及与之相关的植物兼容酸盐或金属盐，以及用于控制植物病原真菌的通式I化合物的用途和包含这些化合物的组合物。
• [EN] TETRASUBSTITUTED PYRIMIDINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI<br/>[FR] DÉRIVÉS DE PYRIMIDINE TÉTRASUBSTITUÉS PERMETTANT DE CONTRÔLER DES CHAMPIGNONS PHYTOPATHOGÈNES
  申请人：BASF SE

  公开号：WO2009019099A1

  公开（公告）日：2009-02-12

  The present invention relates to pyrimidine compounds of the formula (I) in which the substituents are as defined in the claims and the specification and to the use of said compounds for the control of phytopathogenic fungi.

  本发明涉及式(I)的嘧啶化合物，其中取代基如索引和说明书中所定义的，并且涉及利用这些化合物控制植物病原真菌。
• Synergistic Active Compound Combinations Comprising Phenyltriazoles
  申请人：Andersch Wolfram

  公开号：US20110166109A1

  公开（公告）日：2011-07-07

  The present invention relates to novel active compound combinations comprising, firstly, at least one known compound of the formula (I) in which R 1 and R 2 have the meanings given in the description. and at least one further known active compound from groups (2) to (27) listed in the description, which combinations are highly suitable for controlling animal pests such as insects and unwanted acarids and also phytopathogenic fungi.

  本发明涉及一种新型活性化合物组合，首先包括至少一种已知的式(I)化合物，其中R1和R2具有描述中给出的含义，并且至少包括描述中列出的第(2)至第(27)组的另一种已知活性化合物，这些组合非常适用于控制动物害虫，如昆虫和不受欢迎的螨虫，以及植物病原真菌。