5,6-二氢-3-甲基-N-苯基-1,4-噁嗪-2-羧胺 | 69892-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5,6-二氢-3-甲基-N-苯基-1,4-噁嗪-2-羧胺
• 英文名称: 5,6-dihydro-3-methyl-N-phenyl-1,4-oxathiin-2-carboxamide
• 英文别名: 1,4-Oxathiin-2-carboxamide, 5,6-dihydro-3-methyl-N-phenyl-；5-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
• CAS: 69892-02-0
• 化学式: C₁₂H₁₃NO₂S
• 分子量: 235.307
• InChiKey: OOIDFJFYUCFPCH-UHFFFAOYSA-N

物化性质

• 熔点：
  82.5-84 °C
• 沸点：
  420.6±45.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯乙酰乙酰替苯胺 在 potassium carbonate 、 对甲苯磺酸 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 50.17h， 生成 5,6-二氢-3-甲基-N-苯基-1,4-噁嗪-2-羧胺
  参考文献：
  名称：

  Synthesis of sulfur-oxygen-transposed dihydro-1,4-oxathiin derivative by unusual rearrangement of .beta.-hydroxy-1,3-oxathiolanes

  摘要：

  DOI：

  10.1021/jo00271a043

文献信息

• N-(2-(cyclopropyl)ethoxy)phenylanilide derivatives, their production, herbicidal compositions and their use, N-(2-(cyclopropyl)ethoxy)-aniline compounds and N-(2-(cyclopropyl)ethoxy)nitrobenzene compounds
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0037106A2

  公开（公告）日：1981-10-07

  N-[2-(cyclopropyl)ethoxy]phenylanilide derivatives of the formula I wherein R,, R2 and R3, which may be same or different, are each hydrogen or C1-C4 alkyl, X is chlorine or bromine, Y is hydrogen, chlorine, bromine, fluorine or iodine and Z is N,N-dimethylamino, N-methoxy-N-methylamino, C1-C4 alkyl or C3-C6 cycloalkyl, and intermediates for their preparation are provided. The compounds of the formula I are useful as herbicides.

  式 I 的 N-[2-(环丙基)乙氧基]苯基苯胺衍生物 其中 R、R2 和 R3（可以相同或不同）各自为氢或 C1-C4 烷基，X 为氯或溴，Y 为氢、氯、溴、氟或碘，Z 为 N,N-二甲基氨基、N-甲氧基-N-甲基氨基、C1-C4 烷基或 C3-C6 环烷基，并提供了用于制备它们的中间体。式 I 的化合物可用作除草剂。
• Synthesis of intermediate for the manufacture of 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
  申请人：UNIROYAL LIMITED

  公开号：EP0072106A1

  公开（公告）日：1983-02-16

  2 - [(2-hydroxyethyl)thio] - 3 - oxo - N - phenylbutanamide, which is an intermediate useful in the manufacture of the fungicide, 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide, is made by reaction of d-(2-hydroxyethyl) disulfide with acetoacetanilide in its ionized form. The intermediate may be cyclized to from the fungicide.

  2 - [(2-羟乙基)硫代] - 3 - 氧代 - N - 苯基丁酰胺是制造 5,6-二氢-2-甲基-N-苯基-1,4-氧硫杂环丁烷-3-甲酰胺杀菌剂的中间体，由 d-(2-羟乙基)二硫醚与离子形式的乙酰乙酰苯胺反应制成。中间体可环化制成杀菌剂。
• Optical isomer of triazolylpentenols, and their production and use as fungicide herbicide and/or plant growth regulant
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0175278A2

  公开（公告）日：1986-03-26

  Triazolyl alcohol derivative having an optical activity of (-) or (+) and represented by the general formula (I), wherein X represents a hydrogen atom or a chlorine atom and the asterisk indicates an asymmetric carbon atom, are prepared by stereospecific reduction of the corresponding ketone or by resolution of the racemate. The (-)-isomer is useful as a fungicide while the (+)-isomer is useful as a plant growth regulant or herbicide.

  光学活性为(-)或(+)的三唑醇衍生物由通式(I)表示、 其中 X 代表氢原子或氯原子，星号表示不对称碳原子，通过相应酮的立体还原或外消旋体的解析制备。(-)-异构体可用作杀真菌剂，而(+)-异构体可用作植物生长调节剂或除草剂。
• Conversion of Dihydro-1,4-oxathiin-3-carboxamide to the Isomeric Dihydro-1,4-oxathiin-2-carboxamide
  作者：Hoh-Gyu Hahn、Kee-Hyuk Chang、Wha Suk Lee

  DOI：10.3987/com-94-6944

  日期：——

  The preparation of isomeric dihydro-1,4-oxathiin (3) from the dihydro-1,4-oxathiin (1) via dichloro-1,4-oxathiane (4) is described. Chlorination of 1 followed by treatment of the resulting dichloride (4) with aqueous acetone gave dihydroxy-1,4-oxathiin (5). The solvolysis to produce intermediate chlorohydrin (11) was favored relative to elimination reaction to give exomethylene compound (8). Dehydration of 5 followed by reduction afforded alpha-hydroxy-1,3-oxathiolane (2) which is a key compound to prepare the isomeric dihydro-1,4-oxathiin (3). The reason for more facile displacement of chlorine at C-2 in comparison with that at C-3 in 4 was also discussed.
• LEE, WHA SUK;HAHN, HOH GYU;CHANG, KEE HYUK, J. ORG. CHEM., 54,(1989) N0, C. 2455-2457
  作者：LEE, WHA SUK、HAHN, HOH GYU、CHANG, KEE HYUK

  DOI：——

  日期：——