(4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)ketone | 221206-04-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)ketone
• 英文别名: (4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)methanone；(3-methoxymethyl-2-nitro-phenyl)(4,6-dimethoxypyrimidin-2-yl)ketone；(4,6-Dimethoxypyrimidin-2-yl)-[3-(methoxymethyl)-2-nitrophenyl]methanone
• CAS: 221206-04-8
• 化学式: C₁₅H₁₅N₃O₆
• 分子量: 333.301
• InChiKey: AZFUBXFDDJQGGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)ketone 在 甲醇 、 sodium tetrahydroborate 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以91%的产率得到(4,6-dimethoxypyrimidin-2-yl)(3-methoxymethyl-2-nitrophenyl)methanol
  参考文献：
  名称：

  METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF

  摘要：

  公开号：

  EP2674420B1
• 作为产物：
  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：

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]
• 苯胺类化合物及其制备方法
  申请人：安徽省化工研究院

  公开号：CN111004185A

  公开（公告）日：2020-04-14

  本发明提供了一种苯胺类化合物及其制备方法。所述苯胺类化合物的制备方法包括以下步骤，提供式II结构的化合物和氢气；将所述式II结构的化合物和所述氢气在催化剂和溶剂存在下，催化氢化得到所述式I结构的化合物；其中，R1选自H、F、Br、Cl、3,5‑二氟、NO2、OCF3、Ph、Me、COPh、CO2CH3，OMe，以及CF3中的任意一种，且位于苯环的3、4、5、6位中任意位置上；R选自氢、甲基、苯基、甲氧基，以及苄氧基中的任意一种；Z选自氮、碳中的任意一种。根据本发明提供的苯胺类化合物的制备方法，反应过程简单，易于操作，效果理想，适合工业化生产。
• 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。