N-cyclopropyl-2-chloro-2-hydroxyimino-acetamide | 152211-93-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyclopropyl-2-chloro-2-hydroxyimino-acetamide
• 英文别名: N-cyclopropyl-2-chloro-2-hydroxyiminoacetamide；2-(cyclopropylamino)-N-hydroxy-2-oxoethanimidoyl chloride
• CAS: 152211-93-3
• 化学式: C₅H₇ClN₂O₂
• 分子量: 162.576
• InChiKey: TUMHDDYCSWAUFG-UHFFFAOYSA-N

物化性质

• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cyclopropyl-2-chloro-2-hydroxyimino-acetamide 在 sodium hydroxide 作用下， 生成 3-Cyclopropylcarbamoyl-5-isopropyl-isoxazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and herbicidal activity of isoxazoledicarboxylic acid derivatives

  摘要：

  AbstractStarting from bulk chemicals, novel isoxazoledicarboxylic acid esters were prepared and converted to the corresponding dicarboxylic acid mono‐amides in a few reaction steps and in high overall yields. Key intermediates for the cycloaddition step were chlorooximinoacetates or amides as nitrile oxide equivalents, prepared in one‐pot reactions from diketene or acetoacetic acid esters. Isoxazoledicarboxylic acid monoamides combined good herbicidal activity with chemical flexibility. They were characterized as inhibitors of photosynthesis. Particularly, they affected the photosynthetic electron transport in photosystem II and the rate of carbon dioxide assimilation. Applied post‐emergence, the new compounds were found to control a broad spectrum of key weeds in corn. Excellent activity was found on Abutilon theophrasti (L.) Medik., Amaranthus retroflexus L., Chenopodium album L., Ipomoea spp., Polygonum persicaria L., Solanum nigrum L. and Xanthium strumarium L. with rates between 0.2 and 0.5 kg ha−1. As a side‐effect, the compounds also showed activity against grass weeds. The compounds are excellent tank‐mix partners, e.g. for sulfonyl‐ureas, to complete the weed spectrum (Chenopodium album L., Solanum nigrum L.) and/or to reduce the risk of developing herbicide‐resistant weeds.

  DOI：

  10.1002/ps.2780440104
• 作为产物：
  描述：

  双乙烯酮 、 环丙胺 在 盐酸 、 氯 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.67h， 以36%的产率得到N-cyclopropyl-2-chloro-2-hydroxyimino-acetamide
  参考文献：
  名称：

  [EN] NITROGEN CONTAINING HETEROARYL COMPOUNDS
  [FR] COMPOSÉS HÉTÉROARYLES CONTENANT DE L'AZOTE

  摘要：

  这项发明涉及一种新颖的含氮杂环化合物，其化学式为（I），其中A1、A2、（a）、R1、R2、R3、R4、R5和R6的定义如描述和索赔中所述，以及其生理上可接受的盐和酯。这些化合物抑制PDE10A，可用作药物。

  公开号：

  WO2011154327A1

文献信息

• NITROGEN CONTAINING HETEROARYL COMPOUNDS
  申请人：Bleicher Konrad

  公开号：US20110306589A1

  公开（公告）日：2011-12-15

  The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.

  这项发明涉及一种新颖的含氮杂环芳基化合物，其化学式为（I），其中A1、A2、R1、R2、R3、R4、R5和R6如描述和索赔中所定义，并且其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。
• Nitrogen containing heteroaryl compounds
  申请人：Bleicher Konrad

  公开号：US08703768B2

  公开（公告）日：2014-04-22

  The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A1, A2, R1, R2, R3, R4, R5 and R6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.

  本发明涉及一种新型的含氮杂环芳基化合物，其化学式为(I)，其中A1、A2、R1、R2、R3、R4、R5和R6如描述和权利要求中所定义，以及其生理学上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。