2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-methoxymethyl-2-nitro-phenyl)acetonitrile | 221205-97-6

• 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-(4,6-dimethoxypyrimidin-2-yl)-2-(3-methoxymethyl-2-nitro-phenyl)acetonitrile
• 英文别名: 2-(4,6-Dimethoxypyrimidine-2-yl)-2-(3-methoxymethyl-2-nitrophenyl)acetonitrile；2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitrophenyl]acetonitrile
• CAS: 221205-97-6
• 化学式: C₁₆H₁₆N₄O₅
• 分子量: 344.327
• InChiKey: WCVZABZHQMQGMG-UHFFFAOYSA-N

物化性质

• 熔点：
  112-113 °C
• 沸点：
  520.9±50.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-methoxymethyl-2-nitro-phenyl)acetonitrile 在 sodium tungstate 、 双氧水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 3.0h， 以79%的产率得到(4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)ketone
  参考文献：
  名称：

  EP1431278

  摘要：

  公开号：
• 作为产物：
  描述：

  (3-methoxymethyl-2-nitro-phenyl)acetonitrile 、 4,6-dimethoxypyrimidine-2-methylsulfonylpyrimidine 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 12.0h， 以87%的产率得到2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-methoxymethyl-2-nitro-phenyl)acetonitrile
  参考文献：
  名称：

  EP1431278

  摘要：

  公开号：

文献信息

• Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor
  申请人：——

  公开号：US20040199002A1

  公开（公告）日：2004-10-07

  The present invention lies in a process for producing a compound represented by the following formula [IV], which comprises the following steps (1) to (3), as well as in an intermediate therefor. (1) A step which comprises reacting a compound represented by the following formula [I] with a compound represented by the following formula [VI] or with a mixture of a compound represented by the following formula [VII] and a compound represented by the following formula [VIII] to obtain a compound represented by the following formula [IX], and hydrolyzing the compound represented by the formula [IX] under acidic conditions to obtain a compound represented by the following formula [II]. (2) A step which comprises reacting the compound represented by the formula [II] with hydroxylamine to obtain a compound represented by the following formula [III]. (3) A step which comprises dehydrating the compound represented by the formula [III] to obtain a compound represented by the formula [IV]. 1 (R 1 )(R 2 )N—CH(OR 3 )(OR 4 )   [VI] (CH 3 ) 2 N—CH(OCH 3 ) 2 [VII] (R 1 )(R 2 )NH   [VIII] 2

  本发明涉及一种制备以下化合物的方法，该化合物由以下公式（IV）表示，包括以下步骤（1）至（3），以及其中间体。 （1）一步骤包括将以下公式（I）表示的化合物与以下公式（VI）表示的化合物或以下公式（VII）表示的化合物和以下公式（VIII）表示的化合物的混合物反应，以得到以下公式（IX）表示的化合物，并在酸性条件下水解公式（IX）表示的化合物，以得到以下公式（II）表示的化合物。 （2）一步骤包括将公式（II）表示的化合物与羟胺反应，以得到以下公式（III）表示的化合物。 （3）一步骤包括脱水公式（III）表示的化合物，以得到以下公式（IV）表示的化合物。 1（R1）（R2）N—CH（OR3）（OR4）  [VI]（CH3）2N—CH（OCH3）2  [VII]（R1）（R2）NH  [VIII]
• Di- or tri-fluoromethanesulfonyl anilide derivatives, process for the preparation of them and herbicides containing them as the active ingredient
  申请人：Ihara Chemical Industry Co., Ltd.

  公开号：US06458748B1

  公开（公告）日：2002-10-01

  The present invention provides a novel compound which is effective for the removal of a wide variety of weeds including difficult-to-control weeds emerging in paddy field and which is safe to mammals; a process for production thereof; a herbicide containing the compound as an active ingredient; and novel raw material compounds used in said process. The present invention relates to a di- or trifluoromethanesulfonyl anilide derivative represented by the following general formula: (wherein R1 is a hydrogen atom, an alkyl group or an alkoxyalkyl group; and R2 is a hydrogen atom when R1 is a hydrogen atom or an alkyl group, and is a hydrogen atom or a fluorine atom when R1 is an alkoxyalkyl group), or a salt thereof, both of said derivative and said salt having a herbicidal activity.

  本发明提供了一种新型化合物，能够有效地去除包括稻田中难以控制的杂草在内的各种杂草，并且对哺乳动物安全；一种其生产工艺；一种以该化合物为活性成分的除草剂；以及在该工艺中使用的新型原料化合物。本发明涉及一种二氟甲烷磺酰苯胺衍生物或三氟甲烷磺酰苯胺衍生物，其通式如下：（其中R1是氢原子、烷基或烷氧基烷基；当R1是氢原子或烷基时，R2是氢原子；当R1是烷氧基烷基时，R2是氢原子或氟原子），或其盐，上述衍生物和盐具有除草活性。
• DI- OR TRI-FLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1101760A1

  公开（公告）日：2001-05-23

  The present invention provides a novel compound which is effective for the removal of a wide variety of weeds including difficult-to-control weeds emerging in paddy field and which is safe to mammals; a process for production thereof; a herbicide containing the compound as an active ingredient; and novel raw material compounds used in said process. The present invention relates to a di- or trifluoromethanesulfonyl anilide derivative represented by the following general formula: (wherein R1 is a hydrogen atom, an alkyl group or an alkoxyalkyl group; and R2 is a hydrogen atom when R1 is a hydrogen atom or an alkyl group, and is a hydrogen atom or a fluorine atom when R1 is an alkoxyalkyl group), or a salt thereof, both of said derivative and said salt having a herbicidal activity.

  本发明提供了一种新型化合物，该化合物可有效除去多种杂草，包括水田中出现的难以控制的杂草，且对哺乳动物安全；其生产工艺；含有该化合物作为活性成分的除草剂；以及用于上述工艺的新型原料化合物。 本发明涉及由以下通式代表的二氟或三氟甲磺酰苯胺衍生物： (其中 R1 是氢原子、烷基或烷氧基烷基；当 R1 是氢原子或烷基时，R2 是氢原子；当 R1 是烷氧基烷基时，R2 是氢原子或氟原子），或其盐，所述衍生物和所述盐均具有除草活性。
• Trifluoromethanesulfonyl anilide derivatives, process for the preparation of them and herbicides containing them as the active ingredient
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1361218A1

  公开（公告）日：2003-11-12

  The present invention provides a novel compound which is effective for the removal of a wide variety of weeds including difficult-to-control weeds emerging in paddy field and which is safe to mammals; a process for production thereof; a herbicide containing the compound as an active ingredient; and novel raw material compounds used in said process. The present invention relates to a trifluoromethanesulfonyl anilide derivative represented by the following general formula: (wherein R1 is an alkoxyalkyl group; and R2 is a fluorine atom), or a salt thereof, both of said derivative and said salt having a herbicidal activity.

  本发明提供了一种新型化合物，它能有效除去多种杂草，包括水田中出现的难以控制的杂草，并且对哺乳动物安全；其生产工艺；含有该化合物作为活性成分的除草剂；以及用于所述工艺的新型原料化合物。 本发明涉及由以下通式代表的三氟甲磺酰苯胺衍生物： (其中 R1 为烷氧基烷基；R2 为氟原子）或其盐，所述衍生物和所述盐均具有除草活性。
• PROCESS FOR PRODUCING (2-NITROPHENYL)ACETONITRILE DERIVATIVE AND INTERMEDIATE THEREFOR
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1431278A1

  公开（公告）日：2004-06-23

  The present invention lies in a process for producing a compound represented by the following formula [IV], which comprises the following steps (1) to (3), as well as in an intermediate therefor. (1) A step which comprises reacting a compound represented by the following formula [I] with a compound represented by the following formula [VI] or with a mixture of a compound represented by the following formula [VII] and a compound represented by the following formula [VIII] to obtain a compound represented by the following formula [IX], and hydrolyzing the compound represented by the formula [IX] under acidic conditions to obtain a compound represented by the following formula [II]. (2) A step which comprises reacting the compound represented by the formula [II] with hydroxylamine to obtain a compound represented by the following formula [III]. (3) A step which comprises dehydrating the compound represented by the formula [III] to obtain a compound represented by the formula [IV].

  本发明涉及一种生产下式[IV]所代表的化合物的工艺，该工艺包括以下步骤（1）至（3）以及一种中间体。 (1）步骤包括将下式[I]代表的化合物与下式[VI]代表的化合物或与下式[VII]代表的化合物和下式[VIII]代表的化合物的混合物反应，得到下式[IX]代表的化合物，并在酸性条件下水解下式[IX]代表的化合物，得到下式[II]代表的化合物。 (2) 包括使式[II]代表的化合物与羟胺反应以得到下式[III]代表的化合物的步骤。 (3) 将式[III]代表的化合物脱水，得到式[IV]代表的化合物。