2-methyl-4-methylthiomethyl-4-methyl-3,1-benzoxazine

• 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: 2-methyl-4-methylthiomethyl-4-methyl-3,1-benzoxazine
• 英文别名: 2,4-Dimethyl-4-(methylsulfanylmethyl)-3,1-benzoxazine
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: FROLWZNLBKXWAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-4-methylthiomethyl-4-methyl-3,1-benzoxazine 、 三氟乙酸 生成 2,4,4-trimethyl-(4H)-3,1-benzoxazine
  参考文献：
  名称：

  CAPOZZI G.; OTTANA R.; ROMEO G.; VALLE G., J. CHEM. RES. SYNOP.,(1986) 200-201

  摘要：

  DOI：
• 作为产物：
  描述：

  N-[2-(1-methylethenyl)phenyl]acetamide 、 DMTST 以 乙腈 为溶剂， 反应 8.0h， 以93%的产率得到2-methyl-4-methylthiomethyl-4-methyl-3,1-benzoxazine
  参考文献：
  名称：

  Novel formation of indoles and 3,1-benzoxazines from o-alkenylanilides and dimethyl(methylthio)sulfonium trifluoromethanesulfonate

  摘要：

  The reaction of dimethyl(methylthio)sulfonium trifluoromethanesulfonate (DMTST) with o-allylphenol gave 2-methylthiomethyl-2,3-dihydrobenzofuran in 97% yield. The reaction of DMTST with N-tosyl-o-isopropenylanilide followed by the addition of aq sodium carbonate afforded N-tosyl-3-methylindole in 88% yield, whereas N-tosyl-o-vinylanilide afforded N-tosylindoline in 85% yield. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2007.05.111

文献信息

• Capozzi, Giuseppe; Ottana, Rosaria; Romeo, Giovanni, Journal of Chemical Research, Miniprint, 1986, # 6, p. 1801 - 1833
  作者：Capozzi, Giuseppe、Ottana, Rosaria、Romeo, Giovanni、Valle, Giovanni

  DOI：——

  日期：——
• CAPOZZI G.; OTTANA R.; ROMEO G.; VALLE G., J. CHEM. RES. SYNOP.,(1986) 200-201
  作者：CAPOZZI G.、 OTTANA R.、 ROMEO G.、 VALLE G.

  DOI：——

  日期：——
• Novel formation of indoles and 3,1-benzoxazines from o-alkenylanilides and dimethyl(methylthio)sulfonium trifluoromethanesulfonate
  作者：Kentaro Okuma、Takumi Yasuda、Itsuki Takeshita、Kosei Shioji、Yoshinobu Yokomori

  DOI：10.1016/j.tet.2007.05.111

  日期：2007.8

  The reaction of dimethyl(methylthio)sulfonium trifluoromethanesulfonate (DMTST) with o-allylphenol gave 2-methylthiomethyl-2,3-dihydrobenzofuran in 97% yield. The reaction of DMTST with N-tosyl-o-isopropenylanilide followed by the addition of aq sodium carbonate afforded N-tosyl-3-methylindole in 88% yield, whereas N-tosyl-o-vinylanilide afforded N-tosylindoline in 85% yield. (c) 2007 Published by Elsevier Ltd.