2,3-二氢噻唑 | 6569-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 2,3-二氢噻唑
• 英文名称: 1,3-thiazole
• 英文别名: 2,3-dihydro-1,3-thiazole；Δ⁴-Dihydrothiazol；2,5-dihydro-thiazole；dihydro-thiazole；2,3-dihydrothiazole；2,5-thiazolene；4-thiazoline
• CAS: 6569-17-1
• 化学式: C₃H₅NS
• 分子量: 87.1454
• InChiKey: OYJGEOAXBALSMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,3-二氢噻唑 生成 2,5-二氢-1,3-噻唑
  参考文献：
  名称：

  The rearrangement of α-imino-thioaldehydes into dihydro-1,3-thiazoles

  摘要：

  alpha-Imino-thioaldehydes were generated by retro-Diels-Alder reaction under flash vacuum thermolysis conditions. They were found to be unstable and cyclized to 2,3-dihydro-1,3-thiazoles. This cyclization was investigated by ab initio calculations.

  DOI：

  10.1016/s0040-4039(00)74414-5
• 作为产物：
  描述：

  12-(N-methyliminomethyl)-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene 生成 2,3-二氢噻唑
  参考文献：
  名称：

  Arnaud, Roger; Chavant, Pierre-Yves; Hagoug, Fatiha, Phosphorus, Sulfur and Silicon and the Related Elements, 1994, vol. 96, # 1-4, p. 319 - 320

  摘要：

  DOI：

文献信息

• Arnaud, Roger; Pelloux-Leon, Nadia; Ripoll, Jean-Louis, Journal of the Chemical Society. Perkin transactions II, 1995, # 6, p. 1077 - 1086
  作者：Arnaud, Roger、Pelloux-Leon, Nadia、Ripoll, Jean-Louis、Valle, Yannick

  DOI：——

  日期：——
• Regioselective aluminum chloride catalyzed reactions of unsaturated electrophiles with thiazoles
  作者：Alessandro Medici、Marco Fogagnolo、Paola Pedrini、Alessandro Dondoni

  DOI：10.1021/jo00141a008

  日期：1982.9
• The rearrangement of α-imino-thioaldehydes into dihydro-1,3-thiazoles
  作者：Roger Arnaud、Nadia Pelloux-Léon、Jean-Louis Ripoll、Yannick Vallée

  DOI：10.1016/s0040-4039(00)74414-5

  日期：1994.11

  alpha-Imino-thioaldehydes were generated by retro-Diels-Alder reaction under flash vacuum thermolysis conditions. They were found to be unstable and cyclized to 2,3-dihydro-1,3-thiazoles. This cyclization was investigated by ab initio calculations.
• Arnaud, Roger; Chavant, Pierre-Yves; Hagoug, Fatiha, Phosphorus, Sulfur and Silicon and the Related Elements, 1994, vol. 96, # 1-4, p. 319 - 320
  作者：Arnaud, Roger、Chavant, Pierre-Yves、Hagoug, Fatiha、Pelloux-Leon, Nadia、Ripoll, Jean-Louis、Vallee, Yannick

  DOI：——

  日期：——