4-(p-nitrothiobenzoyl)morpholine | 50903-04-3

• 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: 4-(p-nitrothiobenzoyl)morpholine
• 英文别名: (4-nitrophenyl)-4-morpholinylmethanethione；morpholino(4-nitrophenyl)methanethione；4-(p-nitrothiobenzoyl)-morpholine；4-(4-nitro-thiobenzoyl)-morpholine；N-(4-nitro-thiobenzoyl)-morpholine；N-<4-Nitro-thiobenzoyl>-morpholin；Morpholin-4-yl(4-nitrophenyl)methane-1-thione；morpholin-4-yl-(4-nitrophenyl)methanethione
• CAS: 50903-04-3
• 化学式: C₁₁H₁₂N₂O₃S
• mdl: MFCD00490818
• 分子量: 252.294
• InChiKey: QEOQJPMQKAEYRZ-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C(Solv: ethanol (64-17-5))
• 沸点：
  403.4±55.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(p-nitrothiobenzoyl)morpholine 以 吡啶 为溶剂， 反应 16.0h， 生成 2-(4-硝基苯基)-5-苯基-1,3,4-恶二唑
  参考文献：
  名称：

  Santus, Maria, Liebigs Annalen der Chemie, 1988, p. 179 - 182

  摘要：

  DOI：
• 作为产物：
  描述：

  对硝基溴化苄 在 盐酸 、 N-氯代丁二酰亚胺 、 sodium thiosulfate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 32.0h， 生成 4-(p-nitrothiobenzoyl)morpholine
  参考文献：
  名称：

  硫醛与胺的反应

  摘要：

  鏻叶立德与元素硫反应生成硫醛，当用胺处理时，硫醛以良好的产率转变为相应的硫代酰胺。当含有α-氢的硫醛用仲胺处理时，得到相应的烯胺或还原产物。

  DOI：

  10.1246/bcsj.64.2402

文献信息

• Metal-free three-component synthesis of thioamides from β-nitrostyrenes, amines and elemental sulfur
  作者：Ling Peng、Li Ma、Ying Ran、Yunfeng Chen、Zhigang Zeng

  DOI：10.1016/j.tetlet.2021.153092

  日期：2021.6

  A metal-free CC bond cleavage reaction of β-nitrostyrenes in the presence of elemental sulfur and secondary amines/amides is described. Elemental sulfur serves as both a raw material and an oxidant for CC bond cleavage, and secondary amines or amides are both feasible nitrogen sources. Besides mild reaction condition and simple work-up procedure, the method provided thioamides with good to excellent

  描述了在元素硫和仲胺/酰胺存在下 β-硝基苯乙烯的无金属 C C 键裂解反应。元素硫既是C C 键断裂的原料又是氧化剂，仲胺或酰胺都是可行的氮源。除了温和的反应条件和简单的后处理程序外，该方法还提供了具有良好收率的硫代酰胺。
• Activation of superoxide; efficient desulphurization of thioamides to the corresponding amides using a peroxyphosphorus intermediate generated from phenylphosphonic dichloride and superoxide
  作者：Yong Hae Kim、Sang Chul Lim、Hae Sung Chang

  DOI：10.1039/c39900000036

  日期：——

  Treatment of thioamides with a peroxyphosphorus intermediate generated from phenylphosphonic dichloride and superoxide (O2˙–) at –4 °C in acetonitrile gave the corresponding amides in excellent yields.

  从苯基膦酰二氯和产生具有peroxyphosphorus中间体硫代酰胺的治疗过氧化物（O 2 ˙ - ）在-4℃下在乙腈中，得到以优良产率相应的酰胺。
• Novel desulfurization of thiocarbonyl compounds into their carbonyl compounds with tertiary butyl thionitrate
  作者：Kim Hyung Jin、Kim Yong Hae

  DOI：10.1016/s0040-4039(00)95389-9

  日期：1987.1

  Various thiocarbonyl compounds such as thioamides, thiocabamate, thiocarbonate, trithiocarbonate, and thioketone were readily reacted with t-butyl thionitrate (t-BuSNO2) to give the corresponding carbonyl compounds in excellent yields under mild conditions. Desulfurization seems to be initiated the selective nitrosation on the sulfur atom of thiocarbonyl group with t-BuSNO2.

  各种硫代羰基化合物（例如硫代酰胺，硫代氨基甲酸酯，硫代碳酸酯，三硫代碳酸酯和硫代酮）很容易与硫代硝酸叔丁酯（t-BuSNO 2）反应，在温和条件下以优异的收率得到相应的羰基化合物。脱硫似乎是通过t-BuSNO 2引发的硫代羰基硫原子的选择性亚硝化反应。
• Reactions of Phosphonium Ylides with S₈or Se in the Presence of Amines. Formation of Thioaldehydes or Selenoaldehydes
  作者：Kentaro Okuma、Yasuo Komiya、Hiroshi Ohta

  DOI：10.1246/cl.1988.1145

  日期：1988.7.5

  The reaction of phosphonium ylides with elemental sulfur gave thioaldehydes which were successfully changed to corresponding thioamides when treated with secondary amines. On the other hand, the reaction of selenoaldehydes with secondary amines afforded bis(dialkylamino)methanes in good yields.

  膦鎓叶立德与硫反应生成硫醛，硫醛在二级胺处理下成功转化为相应的硫酰胺。另一方面，硒醛与二级胺反应以良好产率得到双（二烷基氨基）甲烷。
• Silver(I) Ion-Mediated Desulfurization-Condensation of Thiocarbonyl Compounds with Several Nucleophiles
  作者：Isao Shibuya、Yoichi Taguchi、Tohru Tsuchiya、Akihiro Oishi、Eisaku Katoh

  DOI：10.1246/bcsj.67.3048

  日期：1994.11

  desulfurization-condensation reaction was investigated in the presence of silver(I) salt for several kinds of thiocarbonyl compounds with nucleophiles. Such thiocarbonyl compounds as 4,4′-bis(dimethylamino)thiobenzophenone, ethylene trithiocarbonate, and N-(thiobenzoyl)morpholine react with malononitrile or other active methylene compounds in the presence of silver trifluoroacetate to afford the corresponding

  在银(I)盐存在下研究了几种硫代羰基化合物与亲核试剂的脱硫缩合反应。4,4'-双(二甲氨基)噻二苯甲酮、亚乙基三硫代碳酸酯和N-(硫代苯甲酰基)吗啉等硫代羰基化合物在三氟乙酸银存在下与丙二腈或其他活性亚甲基化合物反应，生成相应的烯烃化合物和硫化银。硫代羰基化合物与一些其他亲核试剂（如苯胺衍生物和乙二醇）的这种反应也得到了亚胺和 1,3-二氧戊环衍生物。

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