3-丁烯-2-醇,1-[(2-氨基苯基)硫代]-2-甲基- | 172607-27-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 3-丁烯-2-醇,1-[(2-氨基苯基)硫代]-2-甲基-
• 英文名称: 2-hydroxy-2-methyl-1-(2-aminophenylthio)-3-butene
• 英文别名: 1-(2-Aminophenyl)sulfanyl-2-methylbut-3-en-2-ol
• CAS: 172607-27-1
• 化学式: C₁₁H₁₅NOS
• 分子量: 209.312
• InChiKey: XDUAHVGPNKGNKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-丁烯-2-醇,1-[(2-氨基苯基)硫代]-2-甲基- 在 吡啶 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 7.0h， 生成 4-methyl-N-[2-(2-methylidenebut-3-enylsulfanyl)phenyl]benzenesulfonamide
  参考文献：
  名称：

  Heterocyclisation of Unsaturated Phenylsulfides. Synthesis of a Novel Series of 2 Substituted-2,3-dihydrobenzothiazoles

  摘要：

  Aminoarylhydroxy thioalkenes react with tosyl derivatives to provide mainly N substituted -2 vinyl -2,3 dihydrobenzothiazoles. A different regiochemistry of cyclization depending on whether a methyl or a phenyl susbtituent was used, was observed. Formation of -2H- 3,4-dihydrobenzothiazines and dienes was observed.

  DOI：

  10.1080/00397919508011449
• 作为产物：
  描述：

  2-氨基苯硫醇 、 一氧化异戊二烯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以90%的产率得到3-丁烯-2-醇,1-[(2-氨基苯基)硫代]-2-甲基-
  参考文献：
  名称：

  Heterocyclisation of Unsaturated Phenylsulfides. Synthesis of a Novel Series of 2 Substituted-2,3-dihydrobenzothiazoles

  摘要：

  Aminoarylhydroxy thioalkenes react with tosyl derivatives to provide mainly N substituted -2 vinyl -2,3 dihydrobenzothiazoles. A different regiochemistry of cyclization depending on whether a methyl or a phenyl susbtituent was used, was observed. Formation of -2H- 3,4-dihydrobenzothiazines and dienes was observed.

  DOI：

  10.1080/00397919508011449

文献信息

• A Convenient Synthesis of 2H-3,4-Dihydro-1,4-Benzothiazines
  作者：Armelle Sauleau、Michele David、Jean Sauleau

  DOI：10.1080/00397919809458690

  日期：1998.11

  Aminothioalkenols react with paratoluenesulfonic acid in benzene or with phosphoric acid in toluene, and provide mainly heterocyclization in 2H-3,4-dihydro-1,4- benzothiazines; formation of some indenes and diene (in one case) was observed too.
• Heterocyclisation of Unsaturated Phenylsulfides. Synthesis of a Novel Series of 2 Substituted-2,3-dihydrobenzothiazoles
  作者：Ghislaine Martin、Jean Sauleau、Michèle David、Armelle Sauleau

  DOI：10.1080/00397919508011449

  日期：1995.12

  Aminoarylhydroxy thioalkenes react with tosyl derivatives to provide mainly N substituted -2 vinyl -2,3 dihydrobenzothiazoles. A different regiochemistry of cyclization depending on whether a methyl or a phenyl susbtituent was used, was observed. Formation of -2H- 3,4-dihydrobenzothiazines and dienes was observed.