methyl 3-formylmethyl-2-nitrobenzoate

• 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: methyl 3-formylmethyl-2-nitrobenzoate
• 英文别名: methyl 2-nitro-3-(2-oxoethyl)benzoate
• 化学式: C₁₀H₉NO₅
• 分子量: 223.185
• InChiKey: SFJGJZKOUUQCSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-formylmethyl-2-nitrobenzoate 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以98%的产率得到methyl-3-(2-hydroxyimino)ethyl-2-nitrobenzoate
  参考文献：
  名称：

  EP1431278

  摘要：

  公开号：
• 作为产物：
  描述：

  3-甲基-2-硝基苯甲酸甲酯 、 N,N-二甲基甲酰胺二甲基缩醛 在 盐酸 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 为溶剂， 反应 16.0h， 以90%的产率得到methyl 3-formylmethyl-2-nitrobenzoate
  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]
• 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。
• EP1431278
  申请人：——

  公开号：——

  公开（公告）日：——