(RS)-(+/-)-4-anilino-6-(1-methylethyl)-5,6-dihydro-2H-thiopyran-2-thione | 380647-43-8

• 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: (RS)-(+/-)-4-anilino-6-(1-methylethyl)-5,6-dihydro-2H-thiopyran-2-thione
• 英文别名: 4-Anilino-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
• CAS: 380647-43-8
• 化学式: C₁₄H₁₇NS₂
• 分子量: 263.428
• InChiKey: YHEGZANPCMHHKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (RS)-(+/-)-4-anilino-6-(1-methylethyl)-5,6-dihydro-2H-thiopyran-2-thione 、 碘甲烷 以 氯仿 为溶剂， 反应 17.0h， 生成 (RS)-(+/-)-2-(1-methylethyl)-6-methylthio-N-phenyl-2H-thiopyran-4(3H)-iminium iodide 、 (RS)-(+/-)-2-(1-methylethyl)-6-methylthio-N-phenyl-2H-thiopyran-4(3H)-iminium iodide
  参考文献：
  名称：

  2-Substituted 4-anilinopiperidines from 2H-thiopyran-2-thiones

  摘要：

  4-Dimethylamino-5,6-dihydro-2H-thiopyran-2-thiones were converted to 4-anilinodihydropyridine-2(1H)-thiones in several steps. The latter were alkylated giving a mixture of isomeric methylthioderivatives which were hydrogenated with Raney nickel yielding 2-alkyl- and 2-aryl-substituted 4-anilinopiperidines. The configurations as well as the conformations of the formed diastereoisomers are investigated by means of NMR. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00830-4
• 作为产物：
  描述：

  5-甲基-3-己烯-2-酮 在 sodium hydroxide 、 溶剂黄146 作用下， 以 various solvent(s) 为溶剂， 反应 38.0h， 生成 (RS)-(+/-)-4-anilino-6-(1-methylethyl)-5,6-dihydro-2H-thiopyran-2-thione
  参考文献：
  名称：

  2-Substituted 4-anilinopiperidines from 2H-thiopyran-2-thiones

  摘要：

  4-Dimethylamino-5,6-dihydro-2H-thiopyran-2-thiones were converted to 4-anilinodihydropyridine-2(1H)-thiones in several steps. The latter were alkylated giving a mixture of isomeric methylthioderivatives which were hydrogenated with Raney nickel yielding 2-alkyl- and 2-aryl-substituted 4-anilinopiperidines. The configurations as well as the conformations of the formed diastereoisomers are investigated by means of NMR. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00830-4

表征谱图