3-[N-{2-nitro-5-(2-chloro-4-isopropylsulphonylphenoxy)phenyl}amino]propionitrile

• 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: 3-[N-{2-nitro-5-(2-chloro-4-isopropylsulphonylphenoxy)phenyl}amino]propionitrile
• 英文别名: 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanenitrile
• 化学式: C₁₈H₁₈ClN₃O₅S
• 分子量: 423.877
• InChiKey: NYHWFIPUGKIRIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-chloro-4-isopropylsulphonyl-(3,4-dinitrophenoxy)benzene 、 3-氨基丙腈 在 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 3-[N-{2-nitro-5-(2-chloro-4-isopropylsulphonylphenoxy)phenyl}amino]propionitrile
  参考文献：
  名称：

  Diphenyl ethers having herbicidal activity

  摘要：

  本发明涉及具有一般式 ##STR1## 的新二苯醚，其中 X 是三氟甲基基团或具有1-4个碳原子的烷基磺酰基团；R 是具有1-12个碳原子的烷基或烷基亚胺基团；而A是具有6-12个碳原子的双（烷氧基乙氧基）膦基团，具有10-16个碳原子的双（烷氧基乙氧基乙氧基）膦基团，羧基，具有3-6个碳原子的烯烃氧羰基团，未取代的氨基羰基团，具有2-5个碳原子的N-烷基氨基羰基团，其中烷基基团被具有2-4个碳原子的二烷基氨基基团取代，氰基或具有2-5个碳原子的烷氧羰基团，其中烷基基团可以被具有1-4个碳原子的烷氧基，烷基硫基或烷基磺酰基团，具有3-6个碳原子的烷氧乙氧基团，具有2-4个碳原子的二烷基氨基基团或具有2-4个碳原子的羟基烷基硫基团取代；但前提是，（a）当X是三氟甲基基团且R是具有1-6个碳原子的烷基或烷基亚胺基团时，A是双（烷氧基乙氧基）膦基团，双（烷氧基乙氧基乙氧基）膦基团，N-烷基氨基羰基团，其中烷基基团被二烷基氨基基团取代，或烷氧羰基团，其中烷基基团被二烷基氨基基团或羟基烷基硫基团取代；（b）当X是三氟甲基基团且R是具有8-12个碳原子的烷基或烷基亚胺基团时，A是羧基，未取代的烷氧羰基团，氨基羰基团或氰基；（c）当X是烷基磺酰基团时，R是具有1-12个碳原子的烷基或烷基亚胺基团，而A是羧基，烯烃氧羰基团，未取代或取代的烷氧羰基团，氨基羰基团或氰基。该化合物具有除草活性。在制成配方后，该化合物可以用于农业和园艺作物中控制不良植物，剂量为每公顷0.01至5千克活性物质。

  公开号：

  US04609753A1

文献信息

• New diphenyl ethers having herbicidal activity
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0126294A1

  公开（公告）日：1984-11-28

  The invention relates to new diphenyl ethers of the general formula wherein X is a trifluoromethyl group or an alkylsulphonyl group having 1-4 carbon atoms; R is an alkylene or alkylidene group having 1-12 carbon atoms; and A is a bis(alkoxyethoxy)phosphinyl group having 6-12 carbon atoms, a bis(alkoxyethoxyethoxy)phosphinyl group having 10-16 carbon atoms, a carboxy group, an alkenyloxycarbonyl group having 3-6 carbon atoms, an unsubstituted aminocarbonyl group, an N-alkylaminocarbonyl group having 2-5 carbon atoms, the alkyl group of which is substituted with a dialkylamino group having 2-4 carbon atoms, a cyano group, or an alkyloxycarbonyl group having 2-5 carbon atoms, the alkyl group of which may be substituted with an alkoxy, alkylthio or alkylsulphonyl group having 1-4 carbon atoms, with an alkoxyethoxy group having 3-6 carbon atoms, with a dialkylamino group having 2-4 carbon atoms, or with a hydroxyalkyldithio group having 2-4 carbon atoms; with the provisos, that a) when X is a trifluoromethyl group and R is an alkylene or alkylidene group having 1-6 carbon atoms, then A is a bis(alkoxyethoxy)phosphinyl group, a bis(atkoxyethoxy- ethoxy)phosphinyl group, an N-alkylaminocarbonyl group, the alkyl group of which is substituted with a dialkylamino group, or an alkyloxycarbonyl group, the alkyl group of which is substituted with a dialkylamino group or a hydroxyalkyldithio group; (b) when X is a trifluoromethyl group and R is an alkylene or alkylidene group having 8-12 carbon atoms, then A is a carboxy group, an unsubstituted alkoxycarbonyl group, an aminocarbonyl group, or a cyano group; and (c) when X is an alkylsulphonyl group, then R is an alkylene or alkylidene group having 1-12 carbon atoms, and A is a carboxy group, an alkenyloxycarbonyl group, an unsubstituted or substituted alkyloxycarbonyl group, an aminocarbonyl group, or a cyano group. The compounds have a herbicidal activity. After having been processed to compositions, the compounds may be used for controlling undesired plants in agricultural and herbicultural crop in a dosage from 0.01 to 5 kg of active substance per hectare.

  本发明涉及通式如下的新型二苯醚 其中 X 是具有 1-4 个碳原子的三氟甲基或烷基磺酰基； R 是具有 1-12 个碳原子的亚烷基或亚烷基；以及 A 是具有 6-12 个碳原子的双(烷氧基乙氧基)膦酰基、具有 10-16 个碳原子的双(烷氧基乙氧基乙氧基)膦酰基、羧基、具有 3-6 个碳原子的烯氧基羰基、未取代的氨基羰基、具有 2-5 个碳原子的 N-烷基氨基羰基，其烷基被具有 2-4 个碳原子的二烷基氨基取代、氰基，或 2-5 个碳原子的烷氧羰基，其烷基可被 1-4 个碳原子的烷氧基、烷硫基或 烷磺酰基、3-6 个碳原子的烷氧基乙氧基、2-4 个碳原子的二烷基氨基或 2-4 个碳原子的羟基二硫代 烷基取代；但条件是 a) 当 X 为三氟甲基且 R 为具有 1-6 个碳原子的亚烷基或亚烷基时，则 A 为双(烷氧基乙氧基)膦酰基、双(烷氧基乙氧基-乙氧基)膦酰基、N-烷基氨基羰基（其烷基被二烷基氨基取代）或烷氧基羰基（其烷基被二烷基氨基或羟基二硫代烷基取代）； (b) 当 X 为三氟甲基且 R 为具有 8-12 个碳原子的亚烷基或亚烷基时，则 A 为羧基、未取代的烷氧羰基、氨基羰基或氰基；以及 (c) 当 X 为烷基磺酰基时，则 R 为具有 1-12 个碳原子的亚烷基或亚烷基，且 A 为羧基、烯氧羰基、未取代或取代的烷氧羰基、氨基羰基或氰基。 这些化合物具有除草活性。这些化合物经加工制成组合物后，可用于控制农作物和草本作物中的有害植物，每公顷用量为 0.01 至 5 千克活性物质。
• US4609753A
  申请人：——

  公开号：US4609753A

  公开（公告）日：1986-09-02
• Diphenyl ethers having herbicidal activity
  申请人：Duphar International Research B.V.

  公开号：US04609753A1

  公开（公告）日：1986-09-02

  The invention relates to new diphenyl ethers of the general formula ##STR1## wherein X is a trifluoromethyl group or an alkylsulphonyl group having 1-4 carbon atoms; R is an alkylene or alkylidene group having 1-12 carbon atoms; and A is a bis(alkoxyethoxy)phosphinyl group having 6-12 carbon atoms, a bis(alkoxyethoxyethoxy)phosphinyl group having 10-16 carbon atoms, a carboxy group, an alkenyloxycarbonyl group having 3-6 carbon atoms, an unsubstituted aminocarbonyl group, an N-alkylaminocarbonyl group having 2-5 carbon atoms, the alkyl group of which is substituted with a dialkylamino group having 2-4 carbon atoms, a cyano group, or an alkyloxycarbonyl group having 2-5 carbon atoms, the alkyl group of which may be substituted with an alkoxy, alkylthio or alkylsulphonyl group having 1-4 carbon atoms, with an alkoxyethoxy group having 3-6 carbon atoms, with a dialkylamino group having 2-4 carbon atoms, or with a hydroxyalkyldithio group having 2-4 carbon atoms; with the provisos, that (a) when X is a trifluoromethyl group and R is an alkylene or alkylidene group having 1-6 carbon atoms, then A is a bis(alkoxyethoxy)phosphinyl group, a bis(alkoxyethoxyethoxy)phosphinyl group, an N-alkylaminocarbonyl group, the alkyl group of which is substituted with a dialkylamino group, or an alkyloxycarbonyl group, the alkyl group of which is substituted with a dialkylamino group or a hydroxyalkyldithio group; (b) when X is a trifluoromethyl group and R is an alkylene or alkylidene group having 8-12 carbon atoms, then A is a carboxy group, an unsubstituted alkoxycarbonyl group, an aminocarbonyl group, or a cyano group; and (c) when X is an alkylsulphonyl group, then R is an alkylene or alkylidene group having 1-12 carbon atoms, and A is a carboxy group, an alkenyloxycarbonyl group, an unsubstituted or substituted alkyloxycarbonyl group, an aminocarbonyl group, or a cyano group. The compounds have a herbicidal activity. After having been processed to compositions, the compounds may be used for controlling undesired plants in agricultural and herbicultural crop in a dosage from 0.01 to 5 kg of active substance per hectare.

  本发明涉及具有一般式 ##STR1## 的新二苯醚，其中 X 是三氟甲基基团或具有1-4个碳原子的烷基磺酰基团；R 是具有1-12个碳原子的烷基或烷基亚胺基团；而A是具有6-12个碳原子的双（烷氧基乙氧基）膦基团，具有10-16个碳原子的双（烷氧基乙氧基乙氧基）膦基团，羧基，具有3-6个碳原子的烯烃氧羰基团，未取代的氨基羰基团，具有2-5个碳原子的N-烷基氨基羰基团，其中烷基基团被具有2-4个碳原子的二烷基氨基基团取代，氰基或具有2-5个碳原子的烷氧羰基团，其中烷基基团可以被具有1-4个碳原子的烷氧基，烷基硫基或烷基磺酰基团，具有3-6个碳原子的烷氧乙氧基团，具有2-4个碳原子的二烷基氨基基团或具有2-4个碳原子的羟基烷基硫基团取代；但前提是，（a）当X是三氟甲基基团且R是具有1-6个碳原子的烷基或烷基亚胺基团时，A是双（烷氧基乙氧基）膦基团，双（烷氧基乙氧基乙氧基）膦基团，N-烷基氨基羰基团，其中烷基基团被二烷基氨基基团取代，或烷氧羰基团，其中烷基基团被二烷基氨基基团或羟基烷基硫基团取代；（b）当X是三氟甲基基团且R是具有8-12个碳原子的烷基或烷基亚胺基团时，A是羧基，未取代的烷氧羰基团，氨基羰基团或氰基；（c）当X是烷基磺酰基团时，R是具有1-12个碳原子的烷基或烷基亚胺基团，而A是羧基，烯烃氧羰基团，未取代或取代的烷氧羰基团，氨基羰基团或氰基。该化合物具有除草活性。在制成配方后，该化合物可以用于农业和园艺作物中控制不良植物，剂量为每公顷0.01至5千克活性物质。