2-Nitro-1,3,4,4-tetrachlor-mono(2-naphtylthio)-1,3-butadien | 168139-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Nitro-1,3,4,4-tetrachlor-mono(2-naphtylthio)-1,3-butadien
• 英文别名: 1,3,4,4-tetrachloro-1-(naphth-2-ylthio)-2-nitro-1,3-butadiene；1,3,4,4-tetrachloro-1-(2-naphthylthio)-2-nitro-1,3-butadiene；2-(1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl)sulfanylnaphthalene
• CAS: 168139-93-3
• 化学式: C₁₄H₇Cl₄NO₂S
• 分子量: 395.093
• InChiKey: NISOTZQHALCOFF-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±42.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  N-甲基哌嗪 、 2-Nitro-1,3,4,4-tetrachlor-mono(2-naphtylthio)-1,3-butadien 以 乙醚 为溶剂， 以86%的产率得到3,4,4-trichloro-1-(1-methylpiperazine)-1-(2-naphthylthio)-2-nitro-1,3-butadiene
  参考文献：
  名称：

  Ibis, Cemil; Goekmen, Zeliha, Revue Roumaine de Chimie, 2007, vol. 52, # 10, p. 957 - 960

  摘要：

  DOI：
• 作为产物：
  描述：

  pentachloro-2-nitro-1,3-butadiene 、 2-萘硫醇 反应 24.0h， 以68%的产率得到2-Nitro-1,3,4,4-tetrachlor-mono(2-naphtylthio)-1,3-butadien
  参考文献：
  名称：

  Ibis, Cemil; Goeksel, F. Serpil, Phosphorus, Sulfur and Silicon and the Related Elements, 1994, vol. 97, # 1-4, p. 165 - 172

  摘要：

  DOI：

文献信息

• The Synthesis of Novel<i>S</i>-,<i>S,S</i>-,<i>S,S,S</i>-, and<i>N,S</i>-Substituted Nitrodienes from Polyhalonitrodienes and Thiols
  作者：Cemil Ibiş、Hatice Yıldırım

  DOI：10.1080/10426507.2011.588297

  日期：2011.11.1

  novel S-, S,S-, and S,S,S-substituted nitrobutadienes were synthesized from the reactions of 2-nitrobutadiene compounds with some thiols. The new N,S-substituted nitrobutadienes were obtained from the reaction of the mono-thiosubstituted butadienes with morpholine, thiomorpholine, homopiperazine, and piperazine derivatives. The structures of new compounds were determined by spectroscopic techniques.

  摘要 2-硝基丁二烯化合物与一些硫醇反应合成了新型S-、S,S-和S,S,S-取代的硝基丁二烯。新的 N,S-取代硝基丁二烯是由单硫代丁二烯与吗啉、硫代吗啉、高哌嗪和哌嗪衍生物反应得到的。新化合物的结构是通过光谱技术确定的。图形概要
• S,N-SUBSTITUIERTE DIENE UND S,N-SUBTITUIERTE TETRAENE AUS MONO(THIO)SUBTITUIERTEN 2-NITRODIENVERBINDUNGEN
  作者：Cemil Ibiş、Zeliha Gökmen

  DOI：10.1080/10426509808045486

  日期：1998.12.1

  Abstract Mono(thio)substituted nitrodienes 1a-b give the compounds 7a and 7b cohen treated with piperazine. S, N-substituted nitrodiene 3a was obtained from the reaction of la with p-phenylendiamine. Under the same conditions the compounds la-b and benzidine give the compounds 5a-b. The compounds la-b from the reaction with aniline in ether yielded 9s-b. Mono(thio)substituted nitrodienes la-b give

  摘要 单（硫）取代的硝基二烯 1a-b 得到了用哌嗪处理的化合物 7a 和 7b cohen。S，N-取代的硝基二烯3a由Ia与对苯二胺反应得到。在相同条件下，化合物1a-b和联苯胺得到化合物5a-b。来自与苯胺在乙醚中反应的化合物la-b产生9s-b。单（硫）取代的硝基二烯 1a-b 通过与哌啶在醚中反应得到 11a-b。13a-c由化合物la-c与吗啉反应制备。
• NOVEL N,S-SUBSTITUTED DIENES BY THE REACTION OF 2-NITROTHIOSUBSTITUTED HALODIENES AND PRIMARY AMINES
  作者：Cemil İbiş、Zeliha Gökmen

  DOI：10.1080/10426500490485615

  日期：2004.12.1

  m-toluidin (4) in ether. Compounds 9a–c and 11a, b were obtained from the reaction of compounds 1a–c with p-fluorophenylamine (8) and p-fluorobenzylamine (10). Compounds 7a and 15c were obtained from the reaction of 1a and 1c with p-phenylendiamine (6) and o-phenylendiamine (14). Compound 13c was synthesized from the reaction of compound 1c with benzidine (2).

  单（硫代）取代的 1a-c 得到化合物 3a-c 和 5a，在乙醚中使用邻甲苯胺（2）和间甲苯胺（4）。化合物 9a-c 和 11a、b 由化合物 1a-c 与对氟苯胺 (8) 和对氟苄胺 (10) 反应得到。化合物 7a 和 15c 由 1a 和 1c 与对苯二胺 (6) 和邻苯二胺 (14) 反应得到。化合物13c由化合物1c与联苯胺(2)反应合成。
• New <i>N</i>,<i>S</i>-Substituted Nitrobutadienes from Mono(Arylthio)Substituted Nitrobutadienes
  作者：Cemil İbiş、Hatice Yıldırım

  DOI：10.1080/10426500802162861

  日期：2009.2.3

  N,S-Substituted nitrobutadienes 3a-g were synthesized from the reaction of the thiosubstituted derivatives 1a-g with thiomorpholine 2. The N,S-substituted nitrobutadienes 5a-g were obtained from the reaction of the thiosubstituted butadienes 1a-g with N-diphenylmethyl piperazine 4. The structure of butadiene 3c was elucidated by single crystal X-ray diffraction.
• The Sulphides, Sulfoxides, and Sulfones of New Dienyl Groups
  作者：Cemil İbiş、Zeliha Gökmen

  DOI：10.1080/713744558

  日期：2003.10.1

  Mono(thio)substituted dienes la-c gave compounds 3a-i with piperazine 2 in dichloromethane. Compounds 5a-c were synthesized from the reaction of mono(thio)substituted la-c with 4-piperidinol 4. Compounds 7a-b were obtained from the reaction of mono(thio)substituted dienes la-b with 2-aminoethylmorpholino 6. N,N-Bis(mono(thio)substituted)-2-nitro-1,3-butadienyl 9a-b were synthesized from the reactions of mono(thio)substituted dienes la-b with 2,5-dimethyl-piperazine 8. Compound 10a was obtained from the reaction of perchlorobutadiene with 2-napthylthiol in ethanol in the presence of sodium hydroxide. Compounds 11a-b were obtained from the reactions of mono(thio)substituted dienes 10a-b with m-chloroperbenzoic acid in CHCl3. Di(thio)substituted diene 12b gave compound mono(sulfnyl)dienes 13b with m-chloroperbenzoic acid in CHCl3, Compound 15 was synthesized from the reaction of tris(thio)substituted nitrodiene 14 with m-chloroperbenzoic acid in CHCl3.