[[(E)-3-苯基丙-2-烯亚基]氨基]脲 | 3839-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [[(E)-3-苯基丙-2-烯亚基]氨基]脲
• 英文名称: 3-phenylpropenal semicarbazone
• 英文别名: Cinnamaldehyde, semicarbazone；[(E)-[(E)-3-phenylprop-2-enylidene]amino]urea
• CAS: 3839-82-5
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: PZZOBYAGIHBRPI-HCFISPQYSA-N

物化性质

• 熔点：
  207 °C
• 密度：
  1.12±0.1 g/cm3(Predicted)
• 溶解度：
  15.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  [[(E)-3-苯基丙-2-烯亚基]氨基]脲 在 bismuth(III) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.25h， 以55%的产率得到肉桂醛
  参考文献：
  名称：

  微波辐射下缩氨基脲再生羰基化合物

  摘要：

  摘要 缩氨基脲 1 在微波辐射下被三氯化铋以高产率轻易裂解为相应的羰基化合物 2。

  DOI：

  10.1080/00397919809458695
• 作为产物：
  描述：

  反式肉桂醛 、 S-(4-叔-丁基苯甲基)[2-(1-甲基丁基)吡啶-3-基]硫代氨基甲酸酯 以 甲醇 为溶剂， 生成 [[(E)-3-苯基丙-2-烯亚基]氨基]脲
  参考文献：
  名称：

  Coordination compounds of cobalt, nickel, copper and zinc with thiosemicarbazone and 3-phenylpropenal semicarbazone

  摘要：

  Hydrates of 3-phenylpropenal thiosernicarbazone (HL center dot H2O) and semicarbazone (HL'center dot H2O) react in methanol with cobalt, nickel, copper, and zinc chlorides, nitrates, and acetates to form coordination compounds MX2 center dot 2HL center dot nSolv [M = Co, Ni, Cu, Zn; X = Cl, NO3; HL = C6H5CH=CH-CH=N-NHC(O)NH2; n = 0-3; Solv = H2O, CH3OH], CuX2 center dot HL center dot nH(2)O [M = Ni, Cu; n = 0, 1], ML2 - nH(2)O and ML' center dot nH(2)O [M = Co, Ni, Zn; HL' = C6H5CH=CH-CH=N-NHC(O)NH2; n = 0-3]. In the presence of amines (A = C2H5N, 2-CH3C5H4N, 3-CH3C5H4N, and 4-CH3C5H4N) these reactions yield the complexes Cu(A)LCl center dot CH3OH and M(A)LX - nH(2)O [M = Cu, Ni; X = Cl, NO3; n = 0-2]. The copper complexes with the amine ligands are of polynuclear structure, and other complexes are monomeric. Carbazones (HL and HL') are included in the complexes as bidentate N,S- and N,O-ligands. The thermolysis of the complexes involves the stages of removing solvent crystallization molecules (70-90 degrees C), deaquation (150-170 degrees C), and full thermal decomposition (500-580 degrees C).

  DOI：

  10.1134/s1070363206070164

文献信息

• VARSHNEY, A. K.;VARSHNEY, SARITA, BULL. POL. ACAD. SCI. CHEM., 37,(1989) N-2, C. 1-7
  作者：VARSHNEY, A. K.、VARSHNEY, SARITA

  DOI：——

  日期：——
• Regeneration of Carbonyl Compounds from Semicarbazones Under Microwave Irradiations
  作者：Mukulesh Baruah、Dipak Prajapati、Jagir S. Sandhu

  DOI：10.1080/00397919809458695

  日期：1998.11

  Abstract Semicarbazones 1 undergo facile cleavage to the corresponding carbonyl compounds 2 by bismuth trichloride under microwave irradiations in high yields.

  摘要 缩氨基脲 1 在微波辐射下被三氯化铋以高产率轻易裂解为相应的羰基化合物 2。
• Coordination compounds of cobalt, nickel, copper and zinc with thiosemicarbazone and 3-phenylpropenal semicarbazone
  作者：N. M. Samus’、A. P. Gulya、V. I. Tsapkov、Yu. M. Chumakov、T. Roshu

  DOI：10.1134/s1070363206070164

  日期：2006.7

  Hydrates of 3-phenylpropenal thiosernicarbazone (HL center dot H2O) and semicarbazone (HL'center dot H2O) react in methanol with cobalt, nickel, copper, and zinc chlorides, nitrates, and acetates to form coordination compounds MX2 center dot 2HL center dot nSolv [M = Co, Ni, Cu, Zn; X = Cl, NO3; HL = C6H5CH=CH-CH=N-NHC(O)NH2; n = 0-3; Solv = H2O, CH3OH], CuX2 center dot HL center dot nH(2)O [M = Ni, Cu; n = 0, 1], ML2 - nH(2)O and ML' center dot nH(2)O [M = Co, Ni, Zn; HL' = C6H5CH=CH-CH=N-NHC(O)NH2; n = 0-3]. In the presence of amines (A = C2H5N, 2-CH3C5H4N, 3-CH3C5H4N, and 4-CH3C5H4N) these reactions yield the complexes Cu(A)LCl center dot CH3OH and M(A)LX - nH(2)O [M = Cu, Ni; X = Cl, NO3; n = 0-2]. The copper complexes with the amine ligands are of polynuclear structure, and other complexes are monomeric. Carbazones (HL and HL') are included in the complexes as bidentate N,S- and N,O-ligands. The thermolysis of the complexes involves the stages of removing solvent crystallization molecules (70-90 degrees C), deaquation (150-170 degrees C), and full thermal decomposition (500-580 degrees C).