5,7-dihydro-alpha-isopropyl-alpha-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide | 81334-52-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5,7-dihydro-alpha-isopropyl-alpha-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide
• 英文别名: α-[6H-pyrrolo[3,4-b]pyridine-5,7-dione-6-yl]-α-isopropyl-α-methylacetamide；5,7-Dihydro-α-isopropyl-α-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide；5,7-Dihydro-alpha-isopropyl-alphamethyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide；2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide
• CAS: 81334-52-3
• 化学式: C₁₃H₁₅N₃O₃
• 分子量: 261.28
• InChiKey: GMRXXZCTLUHIJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,7-dihydro-alpha-isopropyl-alpha-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide 在 水 、 sodium hydroxide 作用下， 反应 1.0h， 生成 灭草烟
  参考文献：
  名称：

  一种灭草烟中间体及其制备方法和应用

  摘要：

  本发明公开了一种灭草烟中间体及其制备方法和应用，该中间体以吡啶‑2,3‑二羧酸二乙酯和2‑氨基‑2,3‑二甲基丁酰胺为原料，在金属催化剂的作用下经胺酯交换反应得到，然后再进一步与碱性水溶性发生合环反应、加酸酸化，得到灭草烟。本发明反应速度快，产物纯度高、收率高、反应条件温和，三废少，合成过程粗放，不但优化了反应条件，降低了反应的设备成本，而且产生的产品容易分离，简化了生产工艺。

  公开号：

  CN112142729B
• 作为产物：
  描述：

  5,7-Dihydro-α-isopropyl-α-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetonitrile 生成 5,7-dihydro-alpha-isopropyl-alpha-methyl-5,7-dioxo-6H-pyrrolo[3,4-b]pyridine-6-acetamide
  参考文献：
  名称：

  LOS, MARINUS

  摘要：

  DOI：

文献信息

• Novel 2-carbamoylnicotinic and 3-quinolinecarboxylic acids and esters
  申请人：American Cyanamid Co.

  公开号：US04769462A1

  公开（公告）日：1988-09-06

  Novel 2-carbamoylnicotinic and 3-quinolinecarboxylic acids and esters are useful intermediate compounds for the preparation of 2-(2-imodazoline-2-yl) pyridine and quinoline herbicides.

  新型的2-氨甲酰基烟酸和3-喹啉羧酸以及酯是制备2-(2-咪唑啉-2-基)吡啶和喹啉除草剂的有用中间化合物。
• Heterocyclically fused pyridine compounds as herbicides
  申请人：Ciba-Geigy Corporation

  公开号：US04743296A1

  公开（公告）日：1988-05-10

  This is a continuation in part application derived from our copending application Ser. No. 837,977 (filing date Mar. 10, 1986). This continuation in part is directed to novel pyridine compounds of formula I below have good selective herbicidal properties pre- and postemergence and also influence or inhibit plant growth. The compounds are of formula I ##STR1## wherein each of X, Y and Z independently of one another is hydrogen or a C.sub.1 -C.sub.4 alkyl group, or two adjacent substituents together also form a saturated or unsaturated 3- or 4-membered alkylene chain or alkenyl chain, each of which chains may in turn by substituted by one to four C.sub.1 -C.sub.4 alkyl groups, R is a C.sub.1 -C.sub.4 nitroalkyl group, a substituted C.sub.1 -C.sub.4 alkylthio group or C.sub.1 -C.sub.4 alkoxy group, an unsubstituted or substituted C.sub.3 -C.sub.4 alkenylthio or C.sub.3 -C.sub.4 alkynylthio group, the hydroxyamino group, a C.sub.1 -C.sub.4 alkoxyamino, C.sub.3 -C.sub.4 alkenyloxyamino or C.sub.3 -C.sub.4 alkynyloxyamino group, a --PO(C.sub.1 -C.sub.4 alkyl).sub.2 or --PO(CH.sub.3)OC.sub.1 -C.sub.4 -alkyl radical or an unsubstituted or substituted hydrazino radical.

  这是一份部分连续申请，源自我们的待决申请Ser. No. 837,977（申请日期为1986年3月10日）。这部分连续申请是针对下列公式I的新型吡啶化合物的，其具有良好的选择性除草性能，可在发芽前和发芽后使用，并且还能影响或抑制植物生长。该化合物的公式I如下：##STR1##其中，X、Y和Z中的每一个独立地为氢或C.sub.1-C.sub.4烷基，或两个相邻的取代基也可以形成饱和或不饱和的3-或4-成员烷基链或烯基链，这些链又可以被1至4个C.sub.1-C.sub.4烷基取代；R为C.sub.1-C.sub.4硝基烷基、取代的C.sub.1-C.sub.4烷基硫基或C.sub.1-C.sub.4烷氧基、未取代或取代的C.sub.3-C.sub.4烯基硫基或C.sub.3-C.sub.4炔基硫基、羟胺基、C.sub.1-C.sub.4烷氧基氨基、C.sub.3-C.sub.4烯氧基氨基或C.sub.3-C.sub.4炔氧基氨基、--PO(C.sub.1-C.sub.4烷基).sub.2或--PO(CH.sub.3)OC.sub.1-C.sub.4-烷基基团，或未取代或取代的肼基团。
• 2-Carbamoyl-3-quinolinecarboxylic acids and salts as intermediates for
  申请人：American Cyanamid Company

  公开号：US04921961A1

  公开（公告）日：1990-05-01

  The invention is novel 2-carbamoylnicotinic and 3-quinolinecarboxylic acids and esters which are intermediate compounds for the preparation of 2-(2-imidazolin-2-yl)pyridine and quinoline herbicides.

  这项发明是新颖的2-氨基甲酰基烟酸和3-喹啉甲酸及其酯类化合物，它们是制备2-(2-咪唑啉-2-基)吡啶和喹啉类除草剂的中间体化合物。
• Substituted imidazolinyl nicotine acids, esters and salts and use thereof as herbicidal agents
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0041623A2

  公开（公告）日：1981-12-16

  There are provided novel 2-(2-imidazolin-2-yl)pyridine and quinoline compounds, a process and intermediate compounds forthe preparation thereof, and a method for controlling a wide variety of annual and perennial plant species therewith.

  本文提供了新型 2-(2-咪唑啉-2-基)吡啶和喹啉化合物、其制备工艺和中间体化合物，以及用其控制多种一年生和多年生植物物种的方法。
• Method to beneficially influence & alter the development & life cycle of agronomic and horticultural crops with certain imidazolinyl nicotinic acids and derivatives thereof
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0041624A2

  公开（公告）日：1981-12-16

  There is provided a method for increasing axillary branching, tillering, flowering, and yield of agronomic and horticultural crops, by applying to said crop plants or to soil containing the seeds or other propagating organs of said plants, an effective amount of a 2-(2-imidazolin-2-yl)pyridine or 2-(2-imidazolin-2-yl)quinoline derivative.

  本发明提供了一种增加农艺和园艺作物腋枝、分蘖、开花和产量的方法，该方法是将有效量的 2-(2-咪唑啉-2-基)吡啶或 2-(2-咪唑啉-2-基)喹啉衍生物施用于所述作物植株或含有所述植株种子或其他繁殖器官的土壤中。