10-[3-(3,3,7,7-Tetramethyl-[1,2,5]dithiazepan-5-yl)-propyl]-10H-phenothiazine | 361553-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 10-[3-(3,3,7,7-Tetramethyl-[1,2,5]dithiazepan-5-yl)-propyl]-10H-phenothiazine
• 英文别名: 10-[3-(3,3,7,7-Tetramethyl-1,2,5-dithiazepan-5-yl)propyl]phenothiazine；10-[3-(3,3,7,7-tetramethyl-1,2,5-dithiazepan-5-yl)propyl]phenothiazine
• CAS: 361553-03-9
• 化学式: C₂₃H₃₀N₂S₃
• 分子量: 430.703
• InChiKey: YNESHHLMVYCWKO-UHFFFAOYSA-N

物化性质

• 沸点：
  548.4±50.0 °C(predicted)
• 密度：
  1.140±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  82.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  10-[3-(3,3,7,7-Tetramethyl-[1,2,5]dithiazepan-5-yl)-propyl]-10H-phenothiazine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以80%的产率得到1-[(2-Mercapto-2-methyl-propyl)-(3-phenothiazin-10-yl-propyl)-amino]-2-methyl-propane-2-thiol
  参考文献：
  名称：

  Synthesis of oxorhenium(V) and oxotechnetium(V) [SN(R)S/S] mixed ligand complexes containing a phenothiazine moiety on the tridentate SN(R)S ligand

  摘要：

  Two oxorhenium and two oxotechnetium [SN(R)S/S] mixed ligand complexes bearing the phenothiazine moiety on the tridentate ligand SN(R)S have been synthesized and characterized. The corresponding complexes at tracer level (Tc-99m) have also been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00309-2
• 作为产物：
  描述：

  2,2'-dithiobis(2-methylpropanal) 在 sodium hydroxide 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 10-[3-(3,3,7,7-Tetramethyl-[1,2,5]dithiazepan-5-yl)-propyl]-10H-phenothiazine
  参考文献：
  名称：

  Synthesis of oxorhenium(V) and oxotechnetium(V) [SN(R)S/S] mixed ligand complexes containing a phenothiazine moiety on the tridentate SN(R)S ligand

  摘要：

  Two oxorhenium and two oxotechnetium [SN(R)S/S] mixed ligand complexes bearing the phenothiazine moiety on the tridentate ligand SN(R)S have been synthesized and characterized. The corresponding complexes at tracer level (Tc-99m) have also been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00309-2

文献信息

• Synthesis of oxorhenium(V) and oxotechnetium(V) [SN(R)S/S] mixed ligand complexes containing a phenothiazine moiety on the tridentate SN(R)S ligand
  作者：Ioannis Pirmettis、Georgios Patsis、Maria Pelecanou、Charalampos Tsoukalas、Apostolos Papadopoulos、Catherine P. Raptopoulou、Aris Terzis、Minas Papadopoulos、Efstratios Chiotellis

  DOI：10.1016/s0960-894x(01)00309-2

  日期：2001.7

  Two oxorhenium and two oxotechnetium [SN(R)S/S] mixed ligand complexes bearing the phenothiazine moiety on the tridentate ligand SN(R)S have been synthesized and characterized. The corresponding complexes at tracer level (Tc-99m) have also been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.