2-hydroxy-2-methyl-1-(2-tosylaminophenylthio)-3-butene | 172607-31-7

• 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: 2-hydroxy-2-methyl-1-(2-tosylaminophenylthio)-3-butene
• 英文别名: N-[2-(2-hydroxy-2-methylbut-3-enyl)sulfanylphenyl]-4-methylbenzenesulfonamide
• CAS: 172607-31-7
• 化学式: C₁₈H₂₁NO₃S₂
• 分子量: 363.502
• InChiKey: STVBMCKLPNHHAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2-methyl-1-(2-tosylaminophenylthio)-3-butene 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以33%的产率得到(3-vinyl)-3-methyl-4-tosylamino-2H-3,4-dihydro-1,4-benzothiazine
  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：

  一氧化异戊二烯 在 吡啶 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 2-hydroxy-2-methyl-1-(2-tosylaminophenylthio)-3-butene
  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

• 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.