N'-(2-methoxy benzoyl)hydrazinecarbodithioic acid ethyl ester | 1122398-24-6

• 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: N'-(2-methoxy benzoyl)hydrazinecarbodithioic acid ethyl ester
• 英文别名: N'-(2-methoxybenzoyl)hydrazinecarbodithiolate ethyl ester；N'-(2-methoxybenzoyl)hydrazine carbodithioic acid ethyl ester；ethyl N-[(2-methoxybenzoyl)amino]carbamodithioate
• CAS: 1122398-24-6
• 化学式: C₁₁H₁₄N₂O₂S₂
• 分子量: 270.376
• InChiKey: ZCEORTRRBXSZBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  162 °C
• 密度：
  1.260±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-(2-methoxy benzoyl)hydrazinecarbodithioic acid ethyl ester 、 cadmium(II) acetate dihydrate 以 甲醇 、 氯仿 为溶剂， 以65%的产率得到[Cd(N'-(2-methoxybenzoyl)hydrazinecarbodithiolate ethyl ester)2]n
  参考文献：
  名称：

  Synthesis, characterization and spectroscopic studies of a new ligand [N′-(2-methoxybenzoyl)hydrazinecarbodithioate] ethyl ester and its Mn(II) and Cd(II) complexes: X-ray structural study of Mn(II) complex

  摘要：

  A new dithioligand [N'-(2-methoxybenzoyl)hydrazinecarbodithioate] ethyl ester (H(2)mbhce, 1) formed complexes [M(Hmbhce)(2)](n) {M = Mn(II), Cd(II)} which have been characterized with the help of elemental analyses, magnetic susceptibility measurements, IR, UV-Vis, H-1 and C-13 NMR and mass spectrometry. [Mn(Hmbhce)(2)](n) (2) crystallized in monoclinic system with space group P-21/n. In the polymeric structure of 2, the ligand acts as an uninegative tridentate N(1), O(1), S(3) donor and forms a five membered chelate ring with N(1), C(2) and O(1). The intermediate bond lengths (between single and double bond distances) O(1)-C(2)=1.241(3), N(2)-C(2)=1.325(3), N(1)-N(2)=1.393(2), N(1)-C(8)=1.311(3)angstrom and C(8)-S(3) = 1.704(2) angstrom suggest considerable delocalization of charge which develops slightly aromatic character in the chelate ring. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.10.015

文献信息

• Mn(II) complexes of N′-(2-methoxybenzoyl)hydrazine carbodithioic acid ethyl ester: synthesis, spectral and structural characterization
  作者：Mamata Singh、Manoj K. Bharty、Aarti Singh、Sujata Kashyap、Udai P. Singh、Nand K. Singh

  DOI：10.1007/s11243-012-9640-1

  日期：2012.11

  Mn(II) complexes [Mn(Hmbhce)2(o-phen)] (1) and [Mn(Hmbhce)2(bpy)] (2) based on N′-(2-methoxybenzoyl)hydrazine carbodithioic acid ethyl ester (H2mbhce) have been synthesized by reacting Mn(OAc)2·4H2O with H2mbhce in the presence of o-phen/bpy. The complexes have been characterized by elemental analyses, magnetic susceptibility measurement, IR, UV–Vis and single crystal X-ray data. Both complexes [Mn(Hmbhce)2(o-phen)]

  两种新的 Mn(II) 配合物 [Mn(Hmbhce)2(o-phen)] (1) 和 [Mn(Hmbhce)2(bpy)] (2) 基于 N'-(2-甲氧基苯甲酰基)肼碳二硫酸乙酯在o-phen/bpy 存在下，通过Mn(OAc)2·4H2O 与H2mbhce 反应合成了酯(H2mbhce)。这些配合物已通过元素分析、磁化率测量、IR、UV-Vis 和单晶 X 射线数据进行表征。两种配合物 [Mn(Hmbhce)2(o-phen)] 和 [Mn(Hmbhce)2(bpy)] 分别在空间群为 P 21/c 和 P 21/n 的单斜晶系中结晶。1 和 2 的单晶 X 射线结构表明，Mn(II) 中心通过羰基氧和去质子化肼氮与两个 (Hmbhce)- 键合，外加来自一个 o-phen/bpy 共配体的两个氮原子。