4,7-diethyl-2,9-dimethyl-4,7-diazadecane-2,9-dithiol | 141938-46-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,7-diethyl-2,9-dimethyl-4,7-diazadecane-2,9-dithiol
• 英文别名: 1-[Ethyl-[2-[ethyl-(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]-2-methylpropane-2-thiol
• CAS: 141938-46-7
• 化学式: C₁₄H₃₂N₂S₂
• 分子量: 292.553
• InChiKey: NWYAQFWPAUIDOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  8.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [TcCl₄(PPh₃)₂] 、 4,7-diethyl-2,9-dimethyl-4,7-diazadecane-2,9-dithiol 在 OH^(1-) 、 air 作用下， 以 二氯甲烷 、 水 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Nitrido- and oxo-technetium(V) chelate complexes with N2S2 ligands: synthesis and crystal structures

  摘要：

  Diaminedithiol ligands (N2S2) of the type HSCR2CH2NR'CH2CH2NR'CH2CR2SH, where R = Me or Et and R' = Me or Et (H-2L) or H (H-4L), react with [TcNCl2(PPh3)2] and [AsPh4][TcOCl4] forming neutral or cationic complexes of technetium(V) containing the [Tc = N]2+ and [Tc = O]3+ moieties, respectively. They are stable in the range pH 2-12.5; at pH 12.5 the oxo-complexes with H-4L become neutral due to deprotonation of one of two NH groups. The complexes have been characterized by elemental analysis, IR and H-1 NMR spectra, magnetic susceptibility and conductivity measurements. The structures of [TcO(L1)][BPh4] (R = Me, R' = Et) and [TcO(H-2L3)]Cl (R = Et, R' = H) have been determined by single-crystal X-ray analysis. The co-ordination around Tc(V) is distorted square-pyramidal in each case where the Tc atom is displaced from the plane defined by N(1), N(2), S(1), S(2) towards the O atom by 0.774(1) and 0.7731 (3) angstrom, respectively.

  DOI：

  10.1039/dt9920001485
• 作为产物：
  描述：

  2-benzylsulfanyl-N-[2-[(2-benzylsulfanyl-2-methylpropanoyl)-ethylamino]ethyl]-N-ethyl-2-methylpropanamide 、 三氟化硼 、 四氢呋喃 生成 4,7-diethyl-2,9-dimethyl-4,7-diazadecane-2,9-dithiol
  参考文献：
  名称：

  JOHN, C. S.;OHMOMO, Y.;KUNG, H. F.;PAIK, C. H.;REBA, R. C., J. LABELL. COMPOUNDS AND RADIOPHARM., 30,(1991) N(!), C. 27-28

  摘要：

  DOI：

文献信息

• JOHN, C. S.;OHMOMO, Y.;KUNG, H. F.;PAIK, C. H.;REBA, R. C., J. LABELL. COMPOUNDS AND RADIOPHARM., 30,(1991) N(!), C. 27-28
  作者：JOHN, C. S.、OHMOMO, Y.、KUNG, H. F.、PAIK, C. H.、REBA, R. C.

  DOI：——

  日期：——
• Nitrido- and oxo-technetium(V) chelate complexes with N2S2 ligands: synthesis and crystal structures
  作者：Andrea Marchi、Lorenza Marvelli、Roberto Rossi、Luciano Magon、Valerio Bertolasi、Valeria Ferretti、Paola Gilli

  DOI：10.1039/dt9920001485

  日期：——

  Diaminedithiol ligands (N2S2) of the type HSCR2CH2NR'CH2CH2NR'CH2CR2SH, where R = Me or Et and R' = Me or Et (H-2L) or H (H-4L), react with [TcNCl2(PPh3)2] and [AsPh4][TcOCl4] forming neutral or cationic complexes of technetium(V) containing the [Tc = N]2+ and [Tc = O]3+ moieties, respectively. They are stable in the range pH 2-12.5; at pH 12.5 the oxo-complexes with H-4L become neutral due to deprotonation of one of two NH groups. The complexes have been characterized by elemental analysis, IR and H-1 NMR spectra, magnetic susceptibility and conductivity measurements. The structures of [TcO(L1)][BPh4] (R = Me, R' = Et) and [TcO(H-2L3)]Cl (R = Et, R' = H) have been determined by single-crystal X-ray analysis. The co-ordination around Tc(V) is distorted square-pyramidal in each case where the Tc atom is displaced from the plane defined by N(1), N(2), S(1), S(2) towards the O atom by 0.774(1) and 0.7731 (3) angstrom, respectively.