6-[(4,6-dimethoxypyrimidin-2-yl)(methylthio)methyl]-3-fluoro-2-methoxyaniline | 929538-38-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-[(4,6-dimethoxypyrimidin-2-yl)(methylthio)methyl]-3-fluoro-2-methoxyaniline
• 英文别名: 6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyaniline
• CAS: 929538-38-5
• 化学式: C₁₅H₁₈FN₃O₃S
• 分子量: 339.391
• InChiKey: OFBDSRUFNXGADU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-[(4,6-dimethoxypyrimidin-2-yl)(methylthio)methyl]-3-fluoro-2-methoxyaniline 、 二氟甲烷磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以27%的产率得到N-{6-[(4,6-dimethoxypyrimidin-2-yl)(methylthio)methyl]-3-fluoro-2-methoxyphenyl}-1,1-difluoromethanesulfonamide
  参考文献：
  名称：

  WO2007/31208

  摘要：

  公开号：
• 作为产物：
  描述：

  4,6-dimethoxy-2-[(methylthio)methyl]pyrimidine 、 3-氟-2-甲氧基苯胺 在 次氯酸叔丁酯 、 sodium methylate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 4.0h， 以62%的产率得到6-[(4,6-dimethoxypyrimidin-2-yl)(methylthio)methyl]-3-fluoro-2-methoxyaniline
  参考文献：
  名称：

  WO2007/31208

  摘要：

  公开号：

文献信息

• use of sulfonanilides as herbicide
  申请人：Araki Koichi

  公开号：US20090305894A1

  公开（公告）日：2009-12-10

  Herbicidal compositions comprising containing sulfonanilides of the formula (I), wherein R 1 represents hydrogen, fluorine, chlorine, C 1-4 alkyl, C 1-4 alkoxy, C 3-6 cycloalkyl-C 1-4 alkyloxy or C 1-4 haloalkoxy, R 2 represents hydrogen, fluorine or chlorine, R 3 represents hydrogen or fluorine, R 4 represents hydrogen or C 1-4 alkyl which may be optionally C 1-4 alkoxy-substituted, C 3-6 alkenyl or C 3-6 alkynyl, R 5 represents hydrogen, R 6 represents hydroxy, fluorine or chlorine, or R 5 and R 6 may form, together with the carbon to which they are bonded, C═O, and X represents CH or N, provided that the following cases are excluded: (i) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, and R 6 represents hydroxy, (ii) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, and R 5 and R 6 form C═O together with the carbon to which they are bonded, (iii) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, R 6 represents hydroxy, and X represents CH, or (iv) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 and R 6 form C═O together with the carbon to which they are bonded, and X represents CH, and new compounds being embraced by the formula (I).

  含有式(I)中的磺酰苯胺类化合物的除草组合物，其中R1代表氢、氟、氯、C1-4烷基、C1-4烷氧基、C3-6环烷基-C1-4烷氧基或C1-4卤代烷氧基，R2代表氢、氟或氯，R3代表氢或氟，R4代表氢或C1-4烷基，可以是可选择地C1-4烷氧基取代，C3-6烯基或C3-6炔基，R5代表氢，R6代表羟基、氟或氯，或者R5和R6可以与它们连接的碳一起形成C═O，X代表CH或N，但排除以下情况：(i) R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，(ii) R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们连接的碳形成C═O，(iii) R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，X代表CH，或(iv) R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们连接的碳形成C═O，X代表CH，新的化合物包括在式(I)中。
• USE OF SULFONANILIDES AS HERBICIDE
  申请人：Araki Koichi

  公开号：US20100323896A1

  公开（公告）日：2010-12-23

  Herbicidal compositions comprising containing sulfonanilides of the formula (I) wherein R 1 represents hydrogen, fluorine, chlorine, C 1-4 alkyl, C 1-4 alkoxy, C 3-6 cycloalkyl-C 1-4 alkyloxy or C 1-4 haloalkoxy, R 2 represents hydrogen, fluorine or chlorine, R 3 represents hydrogen or fluorine, R 4 represents hydrogen or C 1-4 alkyl which may be optionally C 1-4 alkoxy-substituted, C 3-6 alkenyl or C 3-6 alkynyl, R 5 represents hydrogen, R 6 represents hydroxy, fluorine or chlorine, or R 5 and R 6 may form, together with the carbon to which they are bonded, C═O, and X represents CH or N, provided that the following cases are excluded: (i) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, and R 6 represents hydroxy, (ii) R 1 represents hydrogen, fluorine or chlorine, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, and R 5 and R 6 form C═O together with the carbon to which they are bonded, (iii) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 represents hydrogen, R 6 represents hydroxy, and X represents CH, or (iv) R 1 represents C 1-4 alkyl, R 2 represents hydrogen, R 3 represents hydrogen, R 4 represents hydrogen, R 5 and R 6 form C═O together with the carbon to which they are bonded, and X represents CH, and new compounds being embraced by the formula (I).

  含有公式（I）中的磺酰苯胺类化合物的除草剂组合物，其中R1代表氢、氟、氯、C1-4烷基、C1-4烷氧基、C3-6环烷基-C1-4烷氧基或C1-4卤代烷氧基，R2代表氢、氟或氯，R3代表氢或氟，R4代表氢或C1-4烷基，该C1-4烷基可以选择性地被C1-4烷氧基取代、C3-6烯基或C3-6炔基，R5代表氢，R6代表羟基、氟或氯，或者R5和R6可以与它们所连接的碳原子形成C═O，X代表CH或N，但排除以下情况：（i）R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，（ii）R1代表氢、氟或氯，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们所连接的碳原子形成C═O，（iii）R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5代表氢，R6代表羟基，X代表CH，或（iv）R1代表C1-4烷基，R2代表氢，R3代表氢，R4代表氢，R5和R6与它们所连接的碳原子形成C═O，X代表CH，并且新化合物符合公式（I）。
• A USE OF SULFONANILIDES AS HERBICIDE
  申请人：Bayer CropScience AG

  公开号：EP1928242A2

  公开（公告）日：2008-06-11
• [EN] A USE OF SULFONANILIDES AS HERBICIDE<br/>[FR] UTILISATION DE SULFONANILIDES EN TANT QU'HERBICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2007031208A2

  公开（公告）日：2007-03-22

  [EN] Herbicidal compositions comprising containing sulfonanilides of the formula (I), wherein R¹ represents hydrogen, fluorine, chlorine, C_1-4 alkyl, C_1-4 alkoxy, C_3-6 cycloalkyl- C_1-4 alkyloxy or C_1-4 haloalkoxy, R² represents hydrogen, fluorine or chlorine, R³ represents hydrogen or fluorine, R⁴ represents hydrogen or C_1-4 alkyl which may be optionally C_1-4 alkoxy-substituted, C_3-6 alkenyl or C_3-6 alkynyl, R⁵ represents hydrogen, R⁶ represents hydroxy, fluorine or chlorine, or R⁵ and R⁶ may form, together with the carbon to which they are bonded, C=O, and X represents CH or N, provided that the following cases are excluded: (i) R¹ represents hydrogen, fluorine or chlorine, R² represents hydrogen, R³ represents hydrogen, R⁴ represents hydrogen, R⁵ represents hydrogen, and R⁶ represents hydroxy, (ii) R¹ represents hydrogen, fluorine or chlorine, R² represents hydrogen, R³ represents hydrogen, R⁴ represents hydrogen, and R⁵ and R⁶ form C=O together with the carbon to which they are bonded, (iii) R¹ represents C_1-4 alkyl, R² represents hydrogen, R³ represents hydrogen, R⁴ represents hydrogen, R⁵ represents hydrogen, R⁶ represents hydroxy, and X represents CH, or (iv) R¹ represents C_1-4 alkyl, R² represents hydrogen, R³ represents hydrogen, R⁴ represents hydrogen, R⁵ and R⁶ form C=O together with the carbon to which they are bonded, and X represents CH, and new compounds being embraced by the formula (I).
  [FR] L'invention concerne des compositions herbicides qui comprennent des sulfonanilides de formule (I), dans laquelle : R¹ représente hydrogène, fluor, chlore, C_1-4 alkyle, C_1-4 alcoxy, C_3-6 cycloalkyl- C_1-4 alkyloxy ou C_1-4 haloalkoxy; R² représente hydrogène, fluor ou chlore; R³ représente hydrogène ou fluor; R⁴ représente hydrogène ou C_1-4 alkyle pouvant éventuellement être C_1-4 alcoxy-substituté, C_3-6 alcényle ou C_3-6 alkynyle; R⁵ représente hydrogène; R⁶ représente hydroxy, fluor ou chlore, ou R⁵ et R⁶ pouvant former conjointement avec le carbone auquel ils sont liés, C=O; et X représente CH ou N, sous réserve que les cas suivants soient exclus: (i) R¹ représente hydrogène, fluor ou chlore; R² représente hydrogène; R³ représente hydrogène; R⁴ représente hydrogène; R⁵ représente hydrogène; et R⁶ représente hydroxy; (ii) R¹ représente hydrogène, fluor ou chlore; R² représente hydrogène; R³ représente hydrogène; R⁴ représente hydrogène; et R⁵ et R⁶ forment C=O conjointement avec le carbone auquel ils sont liés; (iii) R¹ représente C_1-4 alkyle; R² représente hydrogène; R³ représente hydrogène; R⁴ représente hydrogène; R⁵ représente hydrogène; R⁶ représente hydroxy; et X représente CH; ou (iv) R¹ représente C_1-4 alkyle; R² représente hydrogène; R³ représente hydrogène; R⁴ représente hydrogène; R⁵ et R⁶ forment C=O conjointement avec le carbone auquel ils sont liés; et X représente CH. L'invention concerne également des nouveaux composés de formule (I).