4-MeC6H4C(O)NHC(Se)NPhMe | 1263415-02-6

• 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-MeC6H4C(O)NHC(Se)NPhMe
• 英文别名: N-(4-methylbenzoyl)-N'-methyl-N'-phenylselenourea；4-MeC6H4C(O)NHC(Se)NMePh
• CAS: 1263415-02-6
• 化学式: C₁₆H₁₆N₂OSe
• 分子量: 331.276
• InChiKey: FBYWFEYZBXBSBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.34
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-MeC6H4C(O)NHC(Se)NPhMe 、 [Pd(μO2CMe)(κ2-C,N-4-MeC6H3N(Me)NO)]2 以 甲醇 为溶剂， 以80%的产率得到[Pd(κ2-C,N-4-MeC6H3N(Me)NO)(κ2Se,O-4-MeC6H4C(O)NC(Se)NMePh)]
  参考文献：
  名称：

  Bridge cleavage reactions of cyclopalladated nitrosamines with thioamides and related compounds

  摘要：

  The palladacycle [Pd(mu-O2CMe){kappa C-2,N-4-MeC6H3N(Me)NO}](2) readily undergoes bridge cleavage reactions with a variety of compounds containing donor functionalities including thioamides, 8-hydroxyquinoline, thioureas, selenoureas, acetylacetone derivatives, dithiocarbamates, xanthates, as well as bidentate N-donors to afford either the monomeric, neutral Pd(II) complexes [Pd{kappa C-2,N-4-MeC6H3N(Me)NO}{L-L}] or the monocationic complexes [Pd{kappa C-2,N-4-MeC6H3N(Me)NO}(N-N)]PF6 in high yields. A series of 15 different complexes was prepared and fully characterised spectroscopically and, in some cases, by X-ray diffraction. It was also found that the dithiocarbamato complex undergoes a disproportionation reaction in solution to give the bis(cyclometallated) complex [Pd{kappa C-2,N-4-MeC6H3N(Me)NO}(2)] as well as the bis(dithiocarbamato) complex [Pd{kappa S-2-S2CNEt2}(2)]. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.026
• 作为产物：
  描述：

  potassium selenocyanate 、 对甲基苯甲酰氯 、 N-甲基苯胺 以 丙酮 为溶剂， 反应 1.0h， 以64%的产率得到4-MeC6H4C(O)NHC(Se)NPhMe
  参考文献：
  名称：

  Synthesis and structural studies of some selenoureas and their metal complexes

  摘要：

  DOI：

  10.3998/ark.5550190.0012.602

文献信息

• Old Selenium Heterocycles Revisited: Synthesis, Spectroscopic, and Structural Characterization of<i>N</i>-Acyl-1,3-selenazol-2(3<i>H</i>)-imines and 5-Acyl-1,3-selenazol-2-amines from Acylselenourea Derivatives
  作者：Fabian Mohr

  DOI：10.1002/jhet.1935

  日期：2014.9

  reaction of various selenoureas and phenacyl bromides. In the case of 1‐acyl‐3‐arylselenoureas N‐acyl‐1,3‐selenazol‐2(3H)‐imines are formed, whereas the analogous reaction with 3,3‐disubstituted 1‐acylselenoureas affords 5‐acyl‐1,3‐selenazol‐2‐amines. The compounds were characterized by NMR spectroscopy and mass spectrometry. In addition, the proposed structures were unambiguously confirmed by X‐ray diffraction

  通过各种硒脲和苯甲酰溴的反应制备了一系列五元硒杂环。在1酰基3芳基硒脲脲的情况下，会形成N酰基1,3硒烯唑2（3 H）亚胺，而与3,3二取代的1酰基硒脲的类似反应生成5酰基1 ，3-硒代唑-2-胺。通过NMR光谱法和质谱法对化合物进行表征。此外，通过X射线衍射研究明确证实了所提出的结构。