6,7,13,14,15,16,17,18-Octahydrodibenzo<1,4,8,11>dithiadiazacyclotetradecine | 156391-62-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6,7,13,14,15,16,17,18-Octahydrodibenzo<1,4,8,11>dithiadiazacyclotetradecine
• 英文别名: 6,7,13,14,15,16,17,18-octahydrodibenzo(e,m)-1,4,8,11,-dithiadiazacyclotetradecine；6,7,13,14,15,16,17,18-octahydrodibenzo[e,m][1,4,8,11]dithiadiazacyclotetradecine；5,6,13,14-bisbenzo-8,11-diaza-1,4-dithia-cyclotetradecane；8,11-diaza-5,13-dibenzo-1,4-dithia-cyclotetradecane；cis-H4N(en)S(en)；2,5-Dithia-13,16-diazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,18,20-hexaene
• CAS: 156391-62-7
• 化学式: C₁₈H₂₂N₂S₂
• 分子量: 330.518
• InChiKey: YGSPUYBNGGVSIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) bis(trifluoromethanesulfonate) 、 6,7,13,14,15,16,17,18-Octahydrodibenzo<1,4,8,11>dithiadiazacyclotetradecine 以 四氢呋喃 为溶剂， 以83%的产率得到(6,7,13,14,15,16,17,18-octahydrodibenzo(e,m)-1,4,8,11,-dithiadiazacyclotetradecine)ditriflatocopper(II)
  参考文献：
  名称：

  含 Azathia 大环化合物的新型 FeII 和 CuII 配合物 - 环己烷和 1-苯基乙醇轻度过氧化氧化的催化剂前体

  摘要：

  新的单核 FeII 和 CuII 复合物 [FeCl2(L1,3)] [L1 (1), L3 (4)], [Cu(OTf)2(L1,2)] [L1 (2), L2 (3)]和 [Cu(OTf)(L3)(H2O)](OTf) (5) 是通过在环境温度下用 14 元 N2S2 大环化合物在 THF 溶液中处理氯化铁 (II) 或三氟甲磺酸铜 (II) 生成的 6 ,7,13,14,15,16,17,18-八氢二苯并(e,m)-1,4,8,11-二硫代二氮杂环十四烷 (L1), 8,11-二甲基-5,6,7,8,9 ,10,16,17-octahydrodibenzo(e,m)-1,4-dithia-8,11-diazacyclotetradecane (L2), 和一个新的九元 NS2 大环带有 2-甲基吡啶悬垂臂 7-(2-methylpyridyl )aza-1,4-二硫杂环壬烷 (L3)。配合物

  DOI：

  10.1002/ejic.201100460
• 作为产物：
  描述：

  5,6,13,14-bisbenzo-8,11-diaza-1,4-dithia-cyclotetratadeca-7,11-diene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 6,7,13,14,15,16,17,18-Octahydrodibenzo<1,4,8,11>dithiadiazacyclotetradecine
  参考文献：
  名称：

  The structural and electrochemical consequences of hydrogenating copper N2S2 Schiff base macrocycles

  摘要：

  A series of cis and trans tetradentate copper macrocyclic complexes, of ring size 14-16, that employ amine and thioether donor groups are reported. Apart from 5,6,15,16-bisbenzo-8,13-diaza-1,4-dithiacyclohexadecane copper(I) (cis-[Cu(H4NbuSen)](+)) all of the complexes are obtained in the copper(II) form. Crystallographic analysis shows that the copper(II) complexes all adopt a distorted planar geometry around the copper. In contrast, cis-[Cu(H4NbuSen)](+) is found to adopt a distorted tetrahedral geometry. The complexes were subjected to electrochemical analysis in water and acetonitrile. The effect of the solvent, positions of the donor atoms (cis/trans) on E-1/2 is discussed as is the comparison of the electrochemical behaviour of these complexes with their parent Schiff base macrocycles. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.012

文献信息

• Preparation and Characterization of Mononuclear Ni Complexes of Tetradentate Amine-thioether and Amine-thiolate Ligands
  作者：Thorsten Fritz、Gunther Steinfeld、Berthold Kersting

  DOI：10.1515/znb-2007-0404

  日期：2007.4.1

  A short route for the preparation of tetradentate amine-thioether and amine-thiolate ligands derived from thiosalen is reported. The ligating properties of several of the synthesized ligands towards Ni(II) has been examined. The diamine-dithiophenolate ligands (L6)2− [H2L6 = N,N′-dimethyl-N,N;-di(2- mercaptobenzyl)-ethane-1,2-diamine] and (L7)2− [H2L7 = N,N′-di(2-mercaptobenzyl)-piperazine] support

  报道了一种用于制备从硫柳氮衍生的四齿胺-硫醚和胺-硫醇盐配体的短途路线。已经检查了几种合成配体对 Ni(II) 的连接特性。二胺-二苯硫酚配体 (L6)2− [H2L6 = N,N'-二甲基-N,N;-di(2-mercaptobenzyl)-ethane-1,2-diamine] 和 (L7)2− [H2L7 = N ,N'-di(2-mercaptobenzyl)-piperazine]支持四配位 NiIIN2S2 配合物 [NiII(L6)] (10) 和 [NiII(L7)] (11) 的形成。相比之下，胺硫醚 2 [N',N"-bis(2-(tert-butylthio)benzyl)ethane-1,2-diamine], L2 [8,11- diaza-5,13-dibenzo-1 ,4-二硫杂环十四烷]及其 N-甲基化衍生物 L2,Me 被发现产生六配位 Ni(II) 配合物
• Bentfeld, Roland; Ehlers, Norbert; Mattes, Rainer, Chemische Berichte, 1995, vol. 128, # 12, p. 1199 - 1206
  作者：Bentfeld, Roland、Ehlers, Norbert、Mattes, Rainer

  DOI：——

  日期：——