1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one | 13213-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
• 英文别名: 1-methyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one；1-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one；1-methyl-2-oxo-1,2-dihydro-4H-3,1-benzoxazine；1-Methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one；1-methyl-4H-3,1-benzoxazin-2-one
• CAS: 13213-95-1
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: ZDFAWZFNQFIYGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one 650.0 ℃ 、1.33 Pa 条件下， 以72%的产率得到N-o-tolyl-methanimine
  参考文献：
  名称：

  Generation and reactions of azaxylylenes

  摘要：

  DOI：

  10.1016/s0040-4039(00)85638-5
• 作为产物：
  描述：

  N-甲基蒽 在 sodium tetrahydroborate 、 tris(2,2'-bipyridyl)ruthenium dichloride 、 碘 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 5.0h， 生成 1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
  参考文献：
  名称：

  Sunlight-Driven Forging of Amide/Ester Bonds from Three Independent Components: An Approach to Carbamates

  摘要：

  A photoredox catalytic route to carbamates enabled by visible irradiation (or simply sunlight) has been developed. This process leads to a novel approach to the construction of heterocyclic rings wherein the amide or ester motifs of carbamates were assembled from three isolated components. Large-scale experiments were realized by employing continuous flow techniques, and reuse of photocatalyst demonstrated the green and sustainable aspects of this method.

  DOI：

  10.1021/acs.orglett.6b02811

文献信息

• FUNGICIDAL MIXTURES
  申请人：Gregory Vann

  公开号：US20100240619A1

  公开（公告）日：2010-09-23

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1 N-oxides, and salts thereof, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, and n are as defined in the disclosure, and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition. Also disclosed is a composition comprising component (a) of aforesaid composition and at least one insecticide. Also disclosed are compounds of Formula 1A, 1B and 1C, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, n, Z 3 , M and J 1 are as defined in the disclosure.

  公开了一种含真菌化合物，包括：(a)至少一种选自公式1 N-氧化物的化合物，以及它们的盐类，其中R1，R2，A，G，W，Z1，X，J和n如公开所述定义，以及（b）至少一种额外的含真菌化合物。还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括将有效量的前述组合物施用于植物或其部分，或施用于植物种子。还公开了一种组合物，包括前述组合物的组分(a)和至少一种杀虫剂。还公开了公式1A，1B和1C的化合物，其中R1，R2，A，G，W，Z1，X，J，n，Z3，M和J1如公开所述定义。
• [EN] BICYCLIC PKM2 ACTIVATORS<br/>[FR] ACTIVATEURS BICYCLIQUES DE PKM2
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2012088314A1

  公开（公告）日：2012-06-28

  Compounds and compositions comprising compounds including formula (I) that activate pyruvate kinase M2 (PKM2) are described herein. Also described herein are methods of using the compounds that activate PKM2 in the treatment of cancer.

  本文描述了包含激活丙酮酸激酶M2（PKM2）的化合物和组合物，其中化合物包括式（I）。本文还描述了利用激活PKM2的化合物治疗癌症的方法。
• Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia
  申请人：Su Shin-San M.

  公开号：US09181231B2

  公开（公告）日：2015-11-10

  Described herein are methods for using compounds that activate pyruvate kinase.

  本文描述了使用激活丙酮酸激酶的化合物的方法。
• PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS
  申请人：ARIAD PHARMACEUTICALS, INC.

  公开号：US20150225436A1

  公开（公告）日：2015-08-13

  The invention features compounds of the general formula: in which the variable groups are as defined herein, and to their preparation and use.

  该发明涉及一般式化合物：其中变量基团如本文所定义，以及它们的制备和使用。
• Carbon dioxide-based facile synthesis of cyclic carbamates from amino alcohols
  作者：Teemu Niemi、Israel Fernández、Bethany Steadman、Jere K. Mannisto、Timo Repo

  DOI：10.1039/c8cc00636a

  日期：——

  for the synthesis of cyclic carbamates from amino alcohols and carbon dioxide in the presence of an external base and a hydroxyl group activating reagent. Utilizing p-toluenesulfonyl chloride (TsCl), the reaction proceeds under mild conditions, and the approach is fully applicable to the preparation of various high value-added 5- and 6-membered rings as well as bicyclic fused ring carbamates. DFT calculations

  我们在本文中报道了在外部碱和羟基活化剂存在下由氨基醇和二氧化碳合成环状氨基甲酸酯的简单通用方法。利用对甲苯磺酰氯（TsCl），该反应在温和的条件下进行，该方法完全适用于制备各种高附加值的5-和6-元环以及双环稠合的氨基甲酸酯。DFT计算和实验结果表明具有高区域选择性，化学选择性和立体选择性的S N 2型反应机理。