1,3,4,4-tetrachloro-1-(decanethio)-2-nitro-1,3-butadiene | 519189-00-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1,3,4,4-tetrachloro-1-(decanethio)-2-nitro-1,3-butadiene
• 英文别名: 1-(1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl)sulfanyldecane
• CAS: 519189-00-5
• 化学式: C₁₄H₂₁Cl₄NO₂S
• 分子量: 409.204
• InChiKey: BJYUITUKSPEXDY-UHFFFAOYSA-N

物化性质

• 沸点：
  357.8±42.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.43
• 重原子数：
  22.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  高哌嗪 、 1,3,4,4-tetrachloro-1-(decanethio)-2-nitro-1,3-butadiene 以 二氯甲烷 为溶剂， 以46%的产率得到N,N'-bis(3,4,4-trichloro-1-decanylthio-2-nitro-1,3-butadienyl)-homopiperazine
  参考文献：
  名称：

  DIBUTADIENYL PIPERAZINE, DIBUTADIENYL HOMOPIPERAZINES AND BUTADIENYL-SUBSTITUTED PIPERIDINES FROM MONOSUBSTITUTED HALODIENES

  摘要：

  Compounds 3a-k were obtained from the reactions of compounds 1a-k with homopiperazine (2) in CH2Cl2. Compounds 1a-b, 1d-f, and 1h-l gave compounds 5a-b, 5d-f, and 5h-l with 2-methylpiperazine (4) in dichloromethane. Compounds 7c and 9c were obtained from the reactions of compound 1c with 4-ethoxycarbonyl piperazine (6) and 4-piperidinol (8) in CH2Cl2. Compounds 1a-b, 1d-f, and 1h-l gave compounds 11a and 11f with 4-methylpiperazine (10), and compound 13f was obtained from the reactions of compound 1f with 4-methylpiperidine (12) in CH2Cl2.

  DOI：

  10.1080/10426500490466850
• 作为产物：
  描述：

  1-癸硫醇 、 pentachloro-2-nitro-1,3-butadiene 反应 36.0h， 以77%的产率得到1,3,4,4-tetrachloro-1-(decanethio)-2-nitro-1,3-butadiene
  参考文献：
  名称：

  一些脂肪族单（硫代）取代的硝基二烯与芳香族伯胺和环胺反应生成新的 N,S-取代二烯

  摘要：

  讨论了 2-硝基五氯丁二烯与硫醇和胺反应生成新的 N,S-和 S,S-取代的硝基二烯化合物。

  DOI：

  10.1080/10426500307801

文献信息

• Novel <i>N</i>,<i>S</i>- and <i>S</i>,<i>S</i>-Substituted Dienes Synthesized from Mercapto Triazole and Some Amine Derivatives
  作者：Cemil Ibis、Gökşin Aydinli

  DOI：10.1080/10426500701196499

  日期：2007.6.1

  compounds 3 and 4 , respectively. Compounds 7a – d were obtained by reactions of 6a – d with 2 . The novel N,S-substituted dienes 9a – c were obtained by treatment of compound 6b with the piperazine derivatives 8a–c . Compound 6b was reacted with 10 to give compound 11 as a new morpholine derivative. Compound 6b gave a new monobutadienyl homopiperazine 13 when reacted with homopiperazine in methylene chloride

  2-硝基二烯 1 与 3-巯基-1,2,4-三唑和环己基硫醇反应，分别生成化合物 3 和 4。化合物 7a-d 由 6a-d 与 2 反应得到。通过用哌嗪衍生物 8a-c 处理化合物 6b 获得新型 N,S-取代二烯 9a-c。化合物6b与10反应得到化合物11，为新的吗啉衍生物。当在二氯甲烷中与高哌嗪反应时，化合物 6b 得到新的单丁二烯基高哌嗪 13。通过单晶 X 射线衍射对化合物 4 进行结构表征。
• Ibis, Cemil; Deniz, N. Gulsah, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007, vol. 46, # 4, p. 674 - 680
  作者：Ibis, Cemil、Deniz, N. Gulsah

  DOI：——

  日期：——
• Synthesis of Dibutadienyl Piperazines, 1,1-Dithio and 1,4-Dithio Substituted Dienes from Nitrodienes
  作者：Cemil İbiş、Gökşin Aydınlı

  DOI：10.1080/10426500214575

  日期：2002.11.1

  Nitrodiene 1a, 1b reacted with 1,4-dithiolbutan and gave the heterocyclic compounds 3a, 3b. 1b gave with 1,3-acetonedithiol the compound 5b. The nitrodiene compound 1b reacted with o-dithiolbenzene (6) and yielded the ketene dithioacetal (7b). Heterocyclic compounds 11a, 11b, 12a, and 12b were prepared from the reactions of 9a with 2,2'-oxydiethanethiol. The compounds 9a, 9b were prepared from 2-nitropentachloro-1,3-butadiene and alkylthiols (8a, 8b). Mono(thio) substituted diene compound 9b gave dibutadienyl piperazine 14b with piperazine in diethylether.