salicylaldehyde S-propylisothiosemicarbazone | 86950-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: salicylaldehyde S-propylisothiosemicarbazone
• 英文别名: salicylaldehyde-S-propyl-thiosemicarbazone；propyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
• CAS: 86950-03-0
• 化学式: C₁₁H₁₅N₃OS
• 分子量: 237.326
• InChiKey: QJGMILPVXAJMAR-UHFFFAOYSA-N

物化性质

• 熔点：
  150-151 °C
• 沸点：
  365.7±44.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  salicylaldehyde S-propylisothiosemicarbazone 、 nickel(II) acetylacetonate dihydrate 以 乙酰丙酮 为溶剂， 生成
  参考文献：
  名称：

  Gerbeleu, N. V.; Simonov, Yu. A.; Revenko, M. D., Koordinatsionnaya Khimiya, 1988, vol. 14, p. 456 - 462

  摘要：

  DOI：
• 作为产物：
  描述：

  水杨醛 、 S-propyl-thiosemicarbazide 以75%的产率得到salicylaldehyde S-propylisothiosemicarbazone
  参考文献：
  名称：

  The asymmetric ONNO complexes of dioxouranium(VI) with N1,N4-diarylidene-S-propyl-thiosemicarbazones derived from 3,5-dichlorosalicylaldehyde: Synthesis, spectroscopic and structural studies

  摘要：

  Two uranyl complexes having the composition [UO2(L)DMSO] were synthesized using salicyl- and 3,5-dichlorosalicylaldehyde-S-propyl-thiosemicarbazones as starting materials. The S-propyl-thiosemicarbazidato structures in the complexes are N-1-3,5-dichlorosalicylidene-N-4-salicylidene and N-1-salicylidene-N-4-3,5-dichlorosalicylidene. The stable solid complexes were characterized by means of elemental analysis, IR and H-1 NMR spectroscopies, and the single crystal X-ray diffraction technique. The two complexes, with the same formula, crystallize in different space groups. In the title complexes, the uranium atom is seven-coordinated in a distorted pentagonal-bipyramidal geometry involving an ONNO donor set of the thiosemicarbazidato ligand and an oxygen atom of a DMSO molecule. The two apical positions of the pentagonal bipyramid are occupied by the two oxygen atoms of the trans-dioxouranium group. The relative orientations of the DMSO and S-propyl groups in both complexes are somewhat different due to different crystal packing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.11.030

文献信息

• Synthesis, X-ray crystal structures, thermal and electrochemical properties of thiosemicarbazidatodioxouranium(vi) complexes
  作者：Musa Şahin、Atıf Koca、Namık Özdemir、Muharrem Dinçer、Orhan Büyükgüngör、Tülay Bal-Demirci、Bahri Ülküseven

  DOI：10.1039/c0dt00265h

  日期：——

  X-ray diffraction technique. The U(VI) centre is seven-coordinated in a distorted pentagonal bipyramidal geometry. The relative orientations of the nonyl alcohol and S-propyl group in the title complexes are completely different due to different crystal packing. Electrochemical behaviors of the thiosemicarbazone ligands and the uranyl complexes were studied using cyclic voltammetry and square wave voltammetry

  马stable 铀酰配合物[UO 2（L）C 9 H 19 OH]由取代的3,5-二氯水杨基- （L I）和水杨基-醛-S-丙基-硫代半碳唑酮（L II）制得-水杨醛 在 壬醇。配合物的结构已通过元素分析，IR，1 H NMR，电导率，磁矩测量，循环伏安法，热重分析和单晶X射线衍射技术进行了表征。这U（六）中心在扭曲的五边形双锥体几何中是七个坐标。的相对方向壬醇由于不同的晶体堆积，标题配合物中的S 1-丙基和S-丙基完全不同。使用循环伏安法和方波伏安法研究了硫半脲配体和铀酰配合物的电化学行为。化合物的氧化还原过程受中心金属离子和硫代半氨基甲酮上取代基的性质的显着影响，这是控制氧化还原性质的重要因素。原位光谱电化学研究用于确定配合物电产生物种的颜色和光谱。
• Synthesis and Characterization of New Nickel(II) Chelates With S-Alkyl-Salicylaldehyde Thiosemicarbazones
  作者：Musa Şahin、Bahri Ülküseven

  DOI：10.1080/10426507.2012.710673

  日期：2013.5.1

  Abstract The template reactions of salicylidene-, 5-bromosalicylidene-, and 3,5-dichlorosalicylidene-S-R-thiosemicarbazone (R: propyl, butyl, pentyl, hexyl, heptyl, octyl, nonyl, dodecyl) with 5-bromo- and 3,5-dichlorosalicylaldehyde in the presence of nickel(II) yielded N1,N4-diarylidene-S-alkyl-thiosemicarbazone chelates. The N2O2 type complexes were isolated as stable solid compounds and characterized

  摘要 水杨基-、5-溴水杨基-和3,5-二氯水杨基-SR-缩氨基硫脲（R：丙基、丁基、戊基、己基、庚基、辛基、壬基、十二烷基）与5-溴-和3的模板反应，在镍 (II) 存在下，5-二氯水杨醛生成 N1,N4-二亚芳基-S-烷基-氨基硫脲螯合物。N2O2 型配合物被分离为稳定的固体化合物，并通过元素分析、电子、红外、1H 核磁共振和质谱进行表征。室温 (rt) 下的磁化率测量表明复合物的抗磁性。清楚地显示了镍 (II) 模板配合物的熔点 (mp) 值与烷基部分的链长之间的关系。补充材料可用于本文。转至出版商的 Phosphorus 在线版，硫、硅和相关元素查看免费补充文件。图形概要
• Synthesis, characterization and thermal decomposition of dioxouranium(VI) complexes with N1,N4-diarylidene-S-propyl-thiosemicarbazone: Crystal structure of [UO2(LI)(C4H9OH)]
  作者：Musa Şahin、Tulay Bal-Demirci、Gülin Pozan-Soylu、Bahri Ülküseven

  DOI：10.1016/j.ica.2008.10.036

  日期：2009.5

  solid complexes corresponding to the general formula [UO2(L)ROH] (R: propyl-, butyl-, pentyl-, and octyl-). The complexes were characterized by means of elemental analysis, IR and 1H NMR spectroscopies. The thermal stabilities of the alcohol solvated complexes were investigated in air and nitrogen atm., and determined their decomposition phases. In the crystal structure of the [UO2(L)(C4H9OH)], the U(VI)

  摘要在不同醇中存在UO2（CH3COO）2的条件下，水杨基和3,5-二氯水杨醛-S-丙基-硫代半氨基甲酮与水杨基和3,5-二氯水杨醛的反应生成稳定的固体络合物，对应于通式[UO2（ L：ROH]（R：丙基-，丁基-，戊基-和辛基-）。通过元素分析，IR和1H NMR光谱对复合物进行表征。在空气和氮气中研究了醇化的配合物的热稳定性，并确定了它们的分解相。在[UO2（L）（C4H9OH）]的晶体结构中，U（VI）中心在扭曲的五边形双锥体几何结构中呈七个配位，涉及两个酚基和两个亚胺基的O，O，N，N原子和一个基面上的醇分子的氧原子和顶位置的二氧杂基的两个O原子。
• Yampol'skaya, M. A.; Shova, S. G.; Gerbeleu, N. V., Russian Journal of Inorganic Chemistry, 1983, vol. 28, p. 984 - 989
  作者：Yampol'skaya, M. A.、Shova, S. G.、Gerbeleu, N. V.、Simonov, Yu. A.、Bel'skii, V. K.、Dvorkin, A. A.

  DOI：——

  日期：——
• Shova, S. G.; Yampol'skaya, M. A.; Zemskov, B. G., Russian Journal of Inorganic Chemistry, 1985, vol. 30, p. 1312 - 1315
  作者：Shova, S. G.、Yampol'skaya, M. A.、Zemskov, B. G.、Gerbeleu, N. V.、Turte, K. I.、Ivleva, I. N.

  DOI：——

  日期：——