Hqaldsme | 849193-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Hqaldsme
• 英文别名: 2-quinolinecarboxaldehyde Schiff base of S-methyldithiocarbazate；Methyl 2-(quinolin-2-ylmethylene)hydrazinecarbodithioate；methyl N-[(E)-quinolin-2-ylmethylideneamino]carbamodithioate
• CAS: 849193-13-1
• 化学式: C₁₂H₁₁N₃S₂
• 分子量: 261.371
• InChiKey: QLFMRPSRHPKZMB-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Hqaldsme 、 二甲基亚砜 、 乙酸酐 以93%的产率得到
  参考文献：
  名称：

  KUBOTA, SEIJU;MISRA, H. K.;SHIBUYA, MASAYUKI, SYNTHESIS, BRD, 1982, N 9, 776-778

  摘要：

  DOI：
• 作为产物：
  描述：

  喹啉-2-甲醛 、 肼基二硫代甲酸甲酯 生成 Hqaldsme
  参考文献：
  名称：

  KUBOTA, SEIJU;MISRA, H. K.;SHIBUYA, MASAYUKI, SYNTHESIS, BRD, 1982, N 9, 776-778

  摘要：

  DOI：

文献信息

• Diphenyltin(IV) complexes of the 2-quinolinecarboxaldehyde Schiff bases of S-methyl- and S-benzyldithiocarbazate (Hqaldsme and Hqaldsbz): X-ray crystal structures of Hqaldsme and two conformers of its diphenyltin(IV) complex
  作者：Mohammad Akbar Ali、A.H. Mirza、Malai Haniti S.A. Hamid、Paul V. Bernhardt

  DOI：10.1016/j.poly.2004.11.023

  日期：2005.2

  New organometallic tin(IV) complexes of the empirical formula Sn(NNS)Ph2Cl (NNS = anionic forms of the 2-quinolinecarboxaldehyde Schiff bases of S-methyl- and S-benzyldithiocarbazate) have been prepared and characterized by IR, electronic, I H NMR and ES mass spectroscopic techniques. The molecular structures of the 2-quinolinecarboxaldehyde Schiff base of S-methyldithiocarbazate (Hqaldsme) and its diphenyltin(IV) complex, Sn(qaldsme)Ph2Cl, have been determined by X-ray diffraction. In the solid state, the ligand remains as the thione tautomer in which the dithiocarbazate chain adopts an E,E configuration and is almost coplanar with the quinoline ring. The Sn(qaldsme)Ph2Cl complex crystallizes in two distinctly different conformationally isomeric forms, each having the same space group but different lattice parameters. X-ray analysis shows that in each polymorph, the tin atom adopts a distorted octahedral geometry with the Schiff base coordinated to it as a uninegatively charged tridentate chelating agent via the quinoline nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom. The two phenyl groups occupy axial positions and the chloride ligand occupies the sixth coordination position of the tin atom. The deprotonated ligand adopts an E,E,Z configuration in the complex. (C) 2004 Elsevier Ltd. All rights reserved.
• KUBOTA, SEIJU;TOYOOKA, KOUHEI;MISRA, HEMANT, K.;KAWANO, MICHINOBU;SHIBUYA+, J. CHEM. SOC. PERKIN TRANS., 1983, N 12, 2957-2961
  作者：KUBOTA, SEIJU、TOYOOKA, KOUHEI、MISRA, HEMANT, K.、KAWANO, MICHINOBU、SHIBUYA+

  DOI：——

  日期：——