4,5-Dimethyl-6H-1,2-oxazin | 7388-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪类
• 英文名称: 4,5-Dimethyl-6H-1,2-oxazin
• 英文别名: 4,5-Dimethyl-6H-1,2-oxazine；4,5-dimethyl-6H-oxazine
• CAS: 7388-92-3
• 化学式: C₆H₉NO
• 分子量: 111.144
• InChiKey: HURDEKPZCGSSND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-Dimethyl-6H-1,2-oxazin 在 镍 氢气 作用下， 以 甲醇 为溶剂， 生成 Bis-<4-hydroxy-2.3-dimethyl-butyl>amin
  参考文献：
  名称：

  Klamann,D. et al., Chemische Berichte, 1966, vol. 99, p. 561 - 565

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基-1,3-丁二烯 在 nitrosonium ethyl sulfate 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 以97%的产率得到4,5-Dimethyl-6H-1,2-oxazin
  参考文献：
  名称：

  Reactions of Nitrosonium Ethyl Sulfate with Olefins and Dienes:  An Experimental and Theoretical Study

  摘要：

  Nitrosonium ethyl sulfate (1), which is generated in situ from ethyl nitrite and sulfur trioxide, is a convenient reagent for the one-pot transformation of olefins and dienes into substituted aldehydes and ketones. New experimental and theoretical aspects of this reaction are discussed. A DFT and ab initio computational study is undertaken to provide further insight into the mechanism of electrophilic nitrosation, including the initial pi-complexes, transition states, and the intermediates involved in subsequent carbonyl formation.

  DOI：

  10.1021/jo990679t

文献信息

• Tinant, B.; Declercq, J. P.; Germain, G., Bulletin des Societes Chimiques Belges, <hi>1980</hi>, vol. 89, # 5, p. 407 - 408
  作者：Tinant, B.、Declercq, J. P.、Germain, G.、Meerssche, M. Van

  DOI：——

  日期：——
• SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES
  申请人：Selby Thomas Paul

  公开号：US20100298141A1

  公开（公告）日：2010-11-25

  Disclosed are compounds of Formula 1, including N-oxides, and salts thereof, wherein W is O or NR 7 , n is 0 or 1, and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention. Also disclosed are mixtures and compositions comprising a herbicidally effective amount of a compound of Formula 1 and an effective amount of another herbicide or herbicide safener.
• Klamann,D. et al., Chemische Berichte, 1966, vol. 99, p. 561 - 565
  作者：Klamann,D. et al.

  DOI：——

  日期：——
• Reactions of Nitrosonium Ethyl Sulfate with Olefins and Dienes:  An Experimental and Theoretical Study
  作者：Nikolai V. Zyk、Evgueni E. Nesterov、Andrei N. Khlobystov、Nikolai S. Zefirov、Loren A. Barnhurst、Andrei G. Kutateladze

  DOI：10.1021/jo990679t

  日期：1999.9.1

  Nitrosonium ethyl sulfate (1), which is generated in situ from ethyl nitrite and sulfur trioxide, is a convenient reagent for the one-pot transformation of olefins and dienes into substituted aldehydes and ketones. New experimental and theoretical aspects of this reaction are discussed. A DFT and ab initio computational study is undertaken to provide further insight into the mechanism of electrophilic nitrosation, including the initial pi-complexes, transition states, and the intermediates involved in subsequent carbonyl formation.