1-乙基-3-吡啶-2-基硫脲 | 2741-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-乙基-3-吡啶-2-基硫脲
• 英文名称: 1-ethyl-3-pyridin-2-ylthiourea
• 英文别名: 1-ethyl-3-pyridin-2-yl-thiourea；Urea, 1-ethyl-3-(2-pyridyl)-2-thio-
• CAS: 2741-10-8
• 化学式: C₈H₁₁N₃S
• mdl: MFCD01676105
• 分子量: 181.261
• InChiKey: KBCVITXCIJKUEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  69
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙基-3-吡啶-2-基硫脲 在 sodium acetate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 36.0h， 生成 2-(3-ethyl-4-oxothiazolidin-2-ylideneamino)-1-methylpyridinium iodide
  参考文献：
  名称：

  Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the P. berghei Mouse Model

  摘要：

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).

  DOI：

  10.1021/jm0606241
• 作为产物：
  描述：

  2-氨基吡啶 、 异硫氰酸乙酯 以 苯 为溶剂， 反应 10.0h， 以50%的产率得到1-乙基-3-吡啶-2-基硫脲
  参考文献：
  名称：

  Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the P. berghei Mouse Model

  摘要：

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).

  DOI：

  10.1021/jm0606241

文献信息

• Base promoted transformation on thiadiazolopyridinium chlorides
  作者：Ana Martinez、Ana Castro、J. P. Fayet

  DOI：10.1002/jhet.5570340153

  日期：1997.1

  1,2,4-Thiadiazolo[2,3-a]pyridinium chlorides undergo a very facile base promoted transformation to give bispyridilimino-1,2,4-thiadiazolidines. The unequivocal structural assignment of these last compounds was achieved by spectroscopic 1H, 13C and 15N two dimensional methods.

  1,2,4-噻二唑[2,3- a ]吡啶鎓氯化物进行非常容易的碱促进的转化，得到双吡啶并氨基-1,2,4-噻二唑烷。这些最后化合物的明确结构分配是通过1 H，13 C和15 N二维光谱学方法实现的。
• New Synthetic Route to of 1,2,4-Thiadiazolines and 1,3-Thiazolines via Thiadiazolopyridinium Salts
  作者：Ana Martinez、Ana Castro、Isabel Fonseca、Martin Martinez-Ripoll、Félix H. Cano、Armando Albert

  DOI：10.3987/com-96-7593

  日期：——

  A new efficient synthesis of 1,2,4-thiadiazolidines and 1,3-thiazolidines bearing 2-pyridylimino substituents using thiadiazolopyridinium chlorides as intermediates is described. The mechanism probably involves a base promoted nucleophilic addition of thiadiazolopyridinium salts to nitriles and ketones.
• Castro, Ana; Martinez, Ana, Heterocycles, 1994, vol. 38, # 8, p. 1737 - 1740
  作者：Castro, Ana、Martinez, Ana

  DOI：——

  日期：——
• Joshua, C.P.; Thomas, Saramma K., Heterocycles, 1982, vol. 19, # 3, p. 531 - 534
  作者：Joshua, C.P.、Thomas, Saramma K.

  DOI：——

  日期：——
• Castro Ana, Martinez Ana, Heterocycles, 38 (1994) N 8, S 1737-1740
  作者：Castro Ana, Martinez Ana

  DOI：——

  日期：——