3,3-diethyl-1-(2,4-dichlorobenzoyl)thiourea | 642951-93-7

• 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: 3,3-diethyl-1-(2,4-dichlorobenzoyl)thiourea
• 英文别名: 2,4-dichloro-N-(diethylcarbamothioyl)benzamide
• CAS: 642951-93-7
• 化学式: C₁₂H₁₄Cl₂N₂OS
• 分子量: 305.228
• InChiKey: BZNDPJVEPAODLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 3,3-diethyl-1-(2,4-dichlorobenzoyl)thiourea 以 甲醇 为溶剂， 反应 3.0h， 以69%的产率得到copper(1+);2,4-dichloro-N-(diethylcarbamothioyl)benzamide;dichloride
  参考文献：
  名称：

  Structural diversity in aroylthiourea copper complexes – formation and biological evaluation of [Cu(i)(μ-S)SCl]₂, cis-Cu(ii)S₂O₂, trans-Cu(ii)S₂O₂and Cu(i)S₃cores

  摘要：

  四种不同的含有芳基硫脲配体的铜配合物表现出良好的与CT DNA和BSA的相互作用以及细胞毒性。

  DOI：

  10.1039/c5nj03536h
• 作为产物：
  描述：

  2,4-二氯苯甲酰氯 以 丙酮 为溶剂， 反应 2.75h， 生成 3,3-diethyl-1-(2,4-dichlorobenzoyl)thiourea
  参考文献：
  名称：

  Synthesis, structure, DNA and protein binding studies, and cytotoxic activity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-(2,4-dichlorobenzoyl)thiourea ligands

  摘要：

  A new series of nickel(II) complexes of the type [Ni(L)(2)] (1-6) has been synthesized by using the 3,3-dialkyliaryl-1-(2,4-dichlorobenzoyl)thiourea ligands, and characterized by analytical and spectral (NMR, FT-IR and UV-Vis) techniques. The structures of the ligands (HL1, HL2 and HL3) and complexes (2 and 5) have been confirmed by single crystal X-ray diffraction studies. The interaction of the nickel(II) complexes (2-5) with calf thymus (CT) DNA and bovine serum albumin (BSA) protein was investigated using UV-Vis and fluorescence spectroscopic methods. Absorption and emission spectral studies indicate that complex 2 interacts with CT DNA and BSA protein more strongly than the other complexes (3, 4 and 5). Complexes 2 and 5 exhibited good cytotoxicity against A549 and HT29 cell lines at 50 mu M concentration. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.010

文献信息

• Synthesis, characterization and catalytic oxidation property of copper(I) complexes containing monodentate acylthiourea ligands and triphenylphosphine
  作者：N. Gunasekaran、N.S.P. Bhuvanesh、R. Karvembu

  DOI：10.1016/j.poly.2016.10.038

  日期：2017.1

  4-dichlorobenzoyl)thiourea (HL3) in benzene gave new four-coordinated tetrahedral copper(I) complexes of the type [CuCl(HL)(PPh3)2] (1–3) [HL = 3,3-dialkyl/aryl-1-(2,4-dichlorobenzoyl)thiourea derivatives]. These complexes were then characterized by analytical and spectroscopic (IR, UV/Vis, 1H, 13C and 31P NMR) techniques. The molecular structure of a representative complex, [CuCl(HL1)(PPh3)2] (1), was determined

  摘要[CuCl2（PPh3）2]与3,3-二苯基-1-（2,4-二氯苯甲酰基）硫脲（HL1），3,3-二异丁基-1-（2,4-二氯苯甲酰基）硫脲（HL2）之间的反应）或苯中的3,3-二乙基-1-（2,4-二氯苯甲酰基）硫脲（HL3）得到新的四配位四面体铜（I）络合物，类型为[CuCl（HL）（PPh3）2]（1– 3）[HL ＝ 3，3-二烷基/芳基-1-（2，4-二氯苯甲酰基）硫脲衍生物]。然后通过分析和光谱（IR，UV / Vis，1H，13C和31P NMR）技术对这些配合物进行表征。通过单晶X射线衍射方法确定了代表性配合物[CuCl（HL1）（PPh3）2]（1）的分子结构，该方法揭示了Cu（I）离子周围的四面体几何形状失真。发现配合物1-3（0.007 mmol）是伯和仲醇5氧化的活性催化剂。
• Synthesis, structure, DNA and protein binding studies, and cytotoxic activity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-(2,4-dichlorobenzoyl)thiourea ligands
  作者：N. Selvakumaran、N.S.P. Bhuvanesh、A. Endo、R. Karvembu

  DOI：10.1016/j.poly.2014.03.010

  日期：2014.6

  A new series of nickel(II) complexes of the type [Ni(L)(2)] (1-6) has been synthesized by using the 3,3-dialkyliaryl-1-(2,4-dichlorobenzoyl)thiourea ligands, and characterized by analytical and spectral (NMR, FT-IR and UV-Vis) techniques. The structures of the ligands (HL1, HL2 and HL3) and complexes (2 and 5) have been confirmed by single crystal X-ray diffraction studies. The interaction of the nickel(II) complexes (2-5) with calf thymus (CT) DNA and bovine serum albumin (BSA) protein was investigated using UV-Vis and fluorescence spectroscopic methods. Absorption and emission spectral studies indicate that complex 2 interacts with CT DNA and BSA protein more strongly than the other complexes (3, 4 and 5). Complexes 2 and 5 exhibited good cytotoxicity against A549 and HT29 cell lines at 50 mu M concentration. (C) 2014 Elsevier Ltd. All rights reserved.
• Structural diversity in aroylthiourea copper complexes – formation and biological evaluation of [Cu(<scp>i</scp>)(μ-S)SCl]₂, cis-Cu(<scp>ii</scp>)S₂O₂, trans-Cu(<scp>ii</scp>)S₂O₂and Cu(<scp>i</scp>)S₃cores
  作者：Nagamani Selvakumaran、Lakshmanan Sandhiya、Nattamai S. P. Bhuvanesh、Kittusamy Senthilkumar、Ramasamy Karvembu

  DOI：10.1039/c5nj03536h

  日期：——

  Four different copper complexes containing aroylthiourea ligands displayed good interaction with CT DNA and BSA and cytotoxicity.

  四种不同的含有芳基硫脲配体的铜配合物表现出良好的与CT DNA和BSA的相互作用以及细胞毒性。