4,6-dimethoxy-2-pyrimidinylacetonitrile | 128276-52-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,6-dimethoxy-2-pyrimidinylacetonitrile
• 英文别名: 4,6-dimethoxypyrimidin-2-ylacetonitrile；cyanomethyl-4,6-dimethoxypyrimidine；2-cyanomethyl-4,6-dimethoxypyrimidine；4,6-dimethoxy-2-cyanomethylpyrimidine；2-(4,6-Dimethoxypyrimidine-2-yl)acetonitrile；2-(4,6-dimethoxypyrimidin-2-yl)acetonitrile
• CAS: 128276-52-8
• 化学式: C₈H₉N₃O₂
• 分子量: 179.178
• InChiKey: HEZNMWWWQSUIIS-UHFFFAOYSA-N

物化性质

• 熔点：
  65-67 °C
• 沸点：
  323.5±32.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  68
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-dimethoxy-2-pyrimidinylacetonitrile 以 甲醇 、 乙醚 、 乙酸甲酯 、 水 为溶剂， 生成 methyl (4,6-dimethoxypyrimidin-2-yl)acetate
  参考文献：
  名称：

  Heterocyclic N-acylsulfonamides, and their use as herbicides or growth

  摘要：

  化合物I的公式或其盐如下：##STR1## 其中R.sup.1为H或脂肪基；R.sup.2和R.sup.3为H、烷基或苯基；W为O、S、NR.sup.4或NOR.sup.4；X为CHR.sup.2、O或NR.sup.4；L为（取代的）苯基、萘基或单环杂环基；A为（取代的）嘧啶基、三嗪基、三唑基或双环杂环基；m和n为0或1。这些化合物具有除草或植物生长调节性能的优点。

  公开号：

  US05053072A1
• 作为产物：
  描述：

  4,6-二甲氧基-2-甲磺酰基嘧啶 在 potassium carbonate 、 对甲苯磺酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 36.0h， 生成 4,6-dimethoxy-2-pyrimidinylacetonitrile
  参考文献：
  名称：

  一种含吡啶羟胺类化合物、制备方法及其用途

  摘要：

  本发明是一种含吡啶羟胺类化合物，制备方法以及用途。其结构通式如下：在结构通式(I)中：R1选自C1‑C4烷基；R2选自C3‑C6环烷基、取代苯基、取代杂环基；X选自氢、三氟甲基或卤素。主要用于农用杀菌剂。

  公开号：

  CN103992304B

文献信息

• PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF
  申请人：Kawazoe Kentaro

  公开号：US20120178931A1

  公开（公告）日：2012-07-12

  Provided is a process by which pyrimidinylacetonitrile derivatives can be prepared easily and efficiently from industrially available raw materials. Also provided are intermediates for the synthesis of the derivatives. A process for the preparation of pyrimidinylacetonitrile derivatives represented by general formula (3) [wherein X is a halogen atom, and R is an alkoxymethyl group], characterized by reacting a 2,4-dihalogeno-6-nitrobenzene derivative represented by general formula (1) [wherein X and R are each as defined above] with 4,6-dimethoxy-2-cyanomethylpyrimidine represented by general formula (2) [wherein Me represents a methyl group] in the presence of a base; and intermediates for the synthesis of the pyrimidinylacetonitrile derivatives.

  提供了一种从工业可获得的原材料中轻松高效地制备嘧啶基乙腈衍生物的方法。还提供了合成这些衍生物的中间体。一种制备由通式（3）表示的嘧啶基乙腈衍生物的方法[其中X是卤素原子，R是烷氧甲基团]，其特征在于将由通式（1）表示的2,4-二卤代-6-硝基苯衍生物[其中X和R均如上定义]与由通式（2）表示的4,6-二甲氧基-2-氰基甲基嘧啶在碱的存在下反应；以及用于合成嘧啶基乙腈衍生物的中间体。
• Nicotinic acid derivatives and herbicides
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US05877120A1

  公开（公告）日：1999-03-02

  A nicotinic acid derivative represented by general formula (I) or (II), a salt thereof, and a herbicide containing the same as the active ingredient, wherein A represents substituted phenyl, or 5- or 6- membered heterocycle, e.g., thienyl or pyridyl; R represents hydroxy, optionally substituted alkoxy or optionally substituted benzyloxy; R.sup.1 and R.sup.2 represent each independently alkoxy or halogen; R.sup.3 and R.sup.4 represent each independently hydrogen, hydroxy, cyano or alkoxycarbonyl, or they may be combined together to represent oxygen; X represents halogen, alkyl or alkoxy; n represents 0, 1 or 2; and Z represents methine or nitrogen. The compound and salts thereof can control annual or perennial weed growing on the land where various crops such as rice plant, wheat, cotton and corn grow for a wide period ranging from the pre-emergence to growth in a remarkably small dose. ##STR1##

  一种烟酸衍生物，其由通式(I)或(II)表示，及其盐，以及含有该衍生物作为活性成分的除草剂，其中A代表取代的苯基或5或6元杂环，例如噻吩基或吡啶基；R代表羟基、可任选取代的烷氧基或可任选取代的苄氧基；R1和R2各自独立地代表烷氧基或卤素；R3和R4各自独立地代表氢、羟基、氰基或烷氧基羰基，或者它们可以结合在一起代表氧；X代表卤素、烷基或烷氧基；n代表0、1或2；Z代表甲川基或氮。该化合物及其盐能够以极小剂量控制种植水稻、小麦、棉花和玉米等多种作物的土地上从出苗前到生长期间的年度或多年生杂草。##STR1##
• Heterocyclic N-acylsulfonamides and their use as herbicides or growth
  申请人：Hoechst Aktiengesellschaft

  公开号：US05186736A1

  公开（公告）日：1993-02-16

  Compounds of the formula I or salts thereof ##STR1## where R.sup.1 is H or an aliphatic radical; R.sup.2 and R.sup.3 are H, alkyl or phenyl; W is O, S, NR.sup.4 or NOR.sup.4 ; X is CHR.sup.2, O or NR.sup.4 ; L is a (substituted) phenyl, naphthyl or monocyclic heteroaryl radical, A is a (substituted) pyrimidyl, triazinyl, triazolyl or bicyclic heteroaryl radical, and m and n are 0 or 1, have advantageously herbicidal or plant growth-regulating properties.

  化合物I的公式或其盐的化合物##STR1##其中R.sup.1是H或脂肪基; R.sup.2和R.sup.3是H，烷基或苯基; W是O，S，NR.sup.4或NOR.sup.4; X是CHR.sup.2，O或NR.sup.4; L是（取代的）苯基，萘基或单环杂环基基，A是（取代的）嘧啶基，三嗪基，三唑基或双环杂环基基，m和n为0或1，具有优良的除草或植物生长调节性能。
• 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。
• Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof
  申请人：Kawazoe Kentaro

  公开号：US08748605B2

  公开（公告）日：2014-06-10

  Disclosed is a method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and also disclosed is a synthetic intermediate thereof. More specifically disclosed is a method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine represented by general formula (2) (wherein R represents an alkyl group), comprising reacting a t-butyl cyanoacetate derivative represented by general formula (1) (wherein R has the same meaning as described above) in the presence of an acid, and also disclosed is a t-butyl cyanoacetate derivative represented by general formula (1) (wherein R represents an alkylgroup).

  本发明公开了一种制备4,6-二烷氧基-2-氰甲基嘧啶的方法，并公开了其合成中间体。具体而言，本发明公开了一种制备由通式（2）（其中R代表烷基）所表示的4,6-二烷氧基-2-氰甲基嘧啶的方法，包括在酸的存在下反应由通式（1）（其中R的含义与上述相同）所表示的叔丁基氰乙酸酯衍生物，同时也公开了由通式（1）（其中R代表烷基）所表示的叔丁基氰乙酸酯衍生物。