1-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde | 1269294-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde
• 英文别名: 2-pyridin-2-ylpyrazole-3-carbaldehyde
• CAS: 1269294-20-3
• 化学式: C₉H₇N₃O
• 分子量: 173.17
• InChiKey: VYOIJWOGFKJEMC-UHFFFAOYSA-N

物化性质

• 沸点：
  344.1±17.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBONYLCHLORIDE COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS 1H-PYRAZOLE-5-CARBONYLCHORURES N-SUBSTITUÉS
  申请人：BASF SE

  公开号：WO2013024007A1

  公开（公告）日：2013-02-21

  The present invention relates to a process for preparing an N-substi- tuted 1 H-pyrazole-5-carbonylchloride compound of the formula (I) comprising the steps of i) deprotonating a compound of the formula (II) with a base selected from lithium-organic base having a carbon or nitrogen bound lithium or with a magnesium-organic base having a carbon bound magnesium; and ii) subjecting the product obtained in step (i) to a chlorocarbonylation by reacting it with a reagent selected from the group consisting of phosgene or a phosgene equivalent, to obtain a compound of formula (I).

  本发明涉及一种制备式(I)N-取代1H-吡唑-5-羰基氯化物的过程，包括以下步骤：i) 用选择自碳或氮与锂结合的有机锂碱或碳与镁结合的有机镁碱的碱去质子化式(II)化合物；和ii) 将步骤(i)中获得的产物经氯羰基化反应，与磷酰氯或磷酰氯等效物中选择的试剂反应，以获得式(I)化合物。
• [EN] PROCESS FOR PREPARING PYRIDYLPYRAZOLE COMPOUNDS AND DERIVATIVES THEREOF FROM PYRIDYLHYDRAZINE<br/>[FR] PROCÉDÉ POUR PRÉPARER DES COMPOSÉS PYRIDYLPYRAZOLE ET DÉRIVÉS DE CEUX-CI PROVENANT DE PYRIDYLHYDRAZINE
  申请人：BASF SE

  公开号：WO2014202599A1

  公开（公告）日：2014-12-24

  The present invention relates to a process for preparing pyndylpyrazole compounds of the formula (I) starting from pyridylhydrazine of formula (II) The present invention relates also to processes comprising further preceding and/or subsequent reaction steps, leading to anthranilamide pesticides or to precursors for them.

  本发明涉及一种从式（II）的吡啶基肼出发制备式（I）的吡啶基吡唑化合物的方法。本发明还涉及包括进一步的前驱和/或后续反应步骤的过程，导致制备蒽酰胺类杀虫剂或其前体。
• [EN] PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLATE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UN COMPOSÉ N-1 H-PYRAZOLE SUBSTITUÉ-5-CARBOXYLATE ET DE SES DÉRIVÉS
  申请人：BASF SE

  公开号：WO2013076092A1

  公开（公告）日：2013-05-30

  The present invention relates to a process for preparing an N-substituted 1 H-pyrazole- 5- carboxylate compound of the formula (l-A) comprising the steps of i) deprotonating a compound of the formula (II) in which the variables R1, R2 and r are each as defined in the description and the claims, with a magnesium-organic base having a carbon bound magnesium; and ii) subjecting the product obtained in step (i) to a carbonylation by reacting it with a reagent selected from the group consisting carbon dioxide or a carbon dioxide equivalent, to obtain a compound of formula (l-A); and it relates to further conversions to yield a N-substituted 1H-pyrazole-5-carbonyl chloride compound of the formula (I).

  本发明涉及一种制备式(l-A)的N-取代1 H-吡唑-5-羧酸酯化合物的过程，包括以下步骤：i) 用具有碳键镁的镁有机碱去质子化式(II)的化合物，其中变量R1、R2和r如描述和索赔中定义，并ii) 将步骤(i)中得到的产物经过羰基化反应，与选择自二氧化碳或二氧化碳等效物的试剂反应，得到式(l-A)的化合物；并且涉及进一步的转化以产生式(I)的N-取代1H-吡唑-5-羰基氯化物化合物。
• [EN] PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS ACIDE 1H-PYRAZOLE-5-CARBOXYLIQUE N-SUBSTITUÉS ET DE LEURS DÉRIVÉS
  申请人：BASF SE

  公开号：WO2014184343A1

  公开（公告）日：2014-11-20

  The present invention relates to a process for preparing N-substituted 1 H-pyrazole-5-carboxylic acid compounds of the formula l-A and derivatives thereof, in particular the corresponding carbonylchloride compounds (acid chlorides). It also relates to the use of these acid chlorides for preparing anthranilamide derivatives that are useful pesticides. in which the variables are as defined in the claims and the specification comprising the steps of i) reacting a compound of the formula (II) with a base selected from combinations of a magnesium-organic compound having a carbon bound magnesium and a secondary amine and magnesium amides of secondary amines in the presence of a lithium halide, where the base is used in an amount sufficient to achieve at least 80 % deprotonation of the compound of formula (II); and subjecting the product obtained in step (i) to a carboxylation by reacting it with carbon dioxide or a carbon dioxide equivalent, to obtain a magnesium salt of the compound of formula (l-A) and optionally aqueous workup to obtain the compound of the formula (l-A) as a free acid.

  本发明涉及一种制备N-取代1H-吡唑-5-羧酸化合物及其衍生物的方法，特别是相应的羰基氯化合物（酸氯化物）。还涉及使用这些酸氯化物来制备对昆虫有用的蒽醯胺衍生物杀虫剂。其中变量如索赔中所定义和规范中包括以下步骤：i）将式（II）的化合物与选择自具有碳键镁的有机镁化合物和次级胺以及次级胺的镁酰胺的组合的碱在锂卤化物存在下反应，其中所述碱的用量足以实现式（II）的化合物至少80%的脱质子化；并将在步骤（i）中获得的产物经羧化反应，与二氧化碳或二氧化碳等效物反应，以获得化合物的镁盐（l-A）和可选的水工艺处理以获得化合物的自由酸形式（l-A）。
• [EN] PROCESS FOR PREPARING HALOGENATED ALKENONE ETHERS AND THEIR USE IN THE SYNTHESIS OF ANTHRANILAMIDE PESTICIDES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ÉTHERS D'ALCÉNONE HALOGÉNÉS ET LEUR UTILISATION DANS LA SYNTHÈSE DE PESTICIDES À BASE D'ANTHRANILAMIDE
  申请人：BASF SE

  公开号：WO2016071243A1

  公开（公告）日：2016-05-12

  The present invention relates to a process for preparing a compound of formula (III) starting from the vinyl ether (IlIa) and the compound (IIIb) with a reagent (lllc) selected from the group of sulfonylhalides or sulfonylanhydrides, e.g. methanesulfonyl chloride or p-toluenesulfonyl chloride, in the presence of a base. The present invention relates also to processes comprising further preceding and/or subsequent reaction steps, leading to anthranilamide pesticides or to precursors for them.

  本发明涉及一种从乙烯醚（IlIa）和化合物（IIIb）以及选择自磺酰卤化物或磺酰酐的群体中的试剂（lllc），例如甲烷磺酰氯或对甲苯磺酰氯，与碱一起制备公式（III）化合物的过程。本发明还涉及包括更多前述和/或后续反应步骤的过程，导致苯甲酰胺类杀虫剂或它们的前体。