3-tert-Butyl-6-carbomethoxy-N-(p-chlorophenyl)-3,4,5,6-tetrahydro-1,3-thiazin-2-imine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-tert-Butyl-6-carbomethoxy-N-(p-chlorophenyl)-3,4,5,6-tetrahydro-1,3-thiazin-2-imine
• 英文别名: Methyl 3-tert-butyl-2-(4-chlorophenyl)imino-1,3-thiazinane-6-carboxylate
• 化学式: C₁₆H₂₁ClN₂O₂S
• 分子量: 340.874
• InChiKey: CIPQUHLDIATINE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯异硫氰酸苯酯 、 1-tert-Butyl-2-(methoxycarbonyl)azetidine 在 二(氰基苯)二氯化钯 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以90%的产率得到3-tert-Butyl-6-carbomethoxy-N-(p-chlorophenyl)-3,4,5,6-tetrahydro-1,3-thiazin-2-imine
  参考文献：
  名称：

  Synthesis of Tetrahydrothiazin-2-imines by the Regiospecific Palladium(II)-Catalyzed Cycloaddition of Azetidines and Isothiocyanates. Isolation of Bis(azetidine)palladium Dichloride, a Key Catalytic Intermediate

  摘要：

  Azetidines react regiospecifically with isothiocyanates in the presence of bis(benzonitrile)palladium dichloride to form tetrahydro-1,3-thiazin-2-imines in 82-98% yields. A dichloro bis(azetidine)-palladium(II) complex, obtained from (PhCN)(2)PdCl2 and an azetidine, was found to be catalytically active for the cycloaddition reaction of azetidines with isothiocyanates.

  DOI：

  10.1021/jo00115a025

文献信息

• Synthesis of Tetrahydrothiazin-2-imines by the Regiospecific Palladium(II)-Catalyzed Cycloaddition of Azetidines and Isothiocyanates. Isolation of Bis(azetidine)palladium Dichloride, a Key Catalytic Intermediate
  作者：Jin-Ook Baeg、Howard Alper

  DOI：10.1021/jo00115a025

  日期：1995.5

  Azetidines react regiospecifically with isothiocyanates in the presence of bis(benzonitrile)palladium dichloride to form tetrahydro-1,3-thiazin-2-imines in 82-98% yields. A dichloro bis(azetidine)-palladium(II) complex, obtained from (PhCN)(2)PdCl2 and an azetidine, was found to be catalytically active for the cycloaddition reaction of azetidines with isothiocyanates.