4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.1,20,24]hexacosa-20,22,24(26)-triene | 61696-66-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.1,20,24]hexacosa-20,22,24(26)-triene
• 英文别名: 4,7,13,16-tetraoxa-1,10-diazatricyclo<8.8.7.1^20,24>hexacosa-20,22,24(26)-triene；4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane；4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene
• CAS: 61696-66-0
• 化学式: C₂₀H₃₂N₂O₄
• 分子量: 364.485
• InChiKey: YRCPXWFZTRZQRV-UHFFFAOYSA-N

物化性质

• 熔点：
  103 °C
• 沸点：
  506.6±45.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.1,20,24]hexacosa-20,22,24(26)-triene 、 sodium thiocyanide 以 甲醇 为溶剂， 生成 4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane; compound with sodium thiocyanate (1:1)
  参考文献：
  名称：

  Buhleier,E. et al., Chemische Berichte, 1979, vol. 112, p. 546 - 558

  摘要：

  DOI：
• 作为产物：
  描述：

  4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane-19,21-dione 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 生成 4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.1,20,24]hexacosa-20,22,24(26)-triene
  参考文献：
  名称：

  Buhleier,E. et al., Chemische Berichte, 1979, vol. 112, p. 546 - 558

  摘要：

  DOI：

文献信息

• Covalently Bonded Fluorine as a σ-Donor for Groups I and II Metal Ions in Partially Fluorinated Macrocycles
  作者：Herbert Plenio、Ralph Diodone

  DOI：10.1021/ja952928a

  日期：1996.1.1

  tetraethyleneglycol [FO5] or pentaethylene glycol [FO6] and in the reaction of 1-(bromomethyl)-3-methyl-2-fluorobenzene with aza-15-crown-5 [FNO4]. The analogous reactions of 1,3-bis(bromomethyl)benzene with diaza-18-crown-6 [HN2O4], diaza-15-crown-5 [HN2O3], and the potassium salt of tetraethylene glycol [HO5] led to the isolation of closely related fluorine-free cryptands and crown ethers. The 19F NMR resonances of

  在 1,3-双（溴甲基）-2-氟苯与 diaza-18-crown-6 的反应中合成了新型氟穴状配体和氟冠醚 [所得的两个大环缩写为 FN2O4（1 + 1 产物） ) 和 (FN2O4)2 (2 + 2 乘积)], diaza-15-crown-5 [乘积缩写为 FN2O3], aza-(3n)-crown-(n) (n = 4, 5, 6) [F (NO3)2、F(NO4)2、F(NO5)2]，以及四乙二醇[FO5]或五乙二醇[FO6]的钾盐与1-(溴甲基)-3-甲基-2-的反应氟苯与 aza-15-crown-5 [F ]。1,3-双（溴甲基）苯与 diaza-18-crown-6 [HN2O4]、diaza-15-crown-5 [HN2O3] 和四甘醇钾盐 [HO5] 的类似反应导致分离密切相关的无氟穴状配体和冠醚。在金属离子络合时，氟大环的 19F NMR 共振相对于相应游离配体的共振在
• Coordination Chemistry with CF Units as σ Donors: Ag ⁺ Complexes of Partially Fluorinated Crown Ethers with Direct Metal–Fluorine Interactions
  作者：Herbert Plenio、Ralph Diodone

  DOI：10.1002/cber.19961291012

  日期：1996.10

  The partially fluorinated cryptands FN2O4 and BenzoFN2O4, which are relatives of the [2.2.1]cryptand, were synthesized in good yields from 1,3-bis(bromomethyl)-2-fluorobenzene and diaza-18-crown-6 or benzodiaza-18-crown-6, respectively. These macrobicyclic ligands form very stable complexes with Ag(I) salts, and it was shown that close fluorinesilver interactions occur in solution as well as in the

  [2.2.1] cryptand的亲代部分氟化的cryptands FN 2 O 4和BenzoFN 2 O 4是由1,3-双（溴甲基）-2-氟苯和diaza-18-crown合成的高收率化合物。 -6或benzodiazaza-18-crown-6。这些大双环配体与Ag（I）盐形成非常稳定的络合物，并且表明在溶液中以及在固态下都存在紧密的氟银相互作用。有大量的实验证据：NMR竞争实验表明，FN 2 O 4的Ag +配合物比HN 2 O的稳定得多。4（两个配体相同，除了在HN 2 O 4中一个氟原子被一个氢原子代替）；与各自的游离配体FN 2 O 4（ 1 J CF = 253 Hz）和BenzoFN 2相比，Ag + · FN 2 O 4和Ag + · BenzoFN 2 O 4的1 J CF耦合常数降低了10 Hz。 O 4。（ 1焦耳CF= 252 Hz）。Ag + · FN 2 O
• Preparation and cation complexing properties of some macropolycyclic ligands
  作者：Krzysztof E. Krakowiak、Jerald S. Bradshaw、N. Kent Dalley、Chengyue Zhu、Guoliang Yi、Janet C. Curtis、Du Li、Reed M. Izatt

  DOI：10.1021/jo00037a038

  日期：1992.5

  Five new cryptands have been prepared by a 2:1 cyclocondensation of an alpha,omega-dihalide with an alpha,omega-diamine. In some cases, other products, such as bis(aza-12-crown-4) ligands and products of a 4:2 cyclocondensation, were isolated also. The structures of the cryptands and bis(aza-crown)s of the game molecular weight were established after careful analysis by C-13 NMR and X-ray spectroscopy and a few independent syntheses of the bis(aza-crown) ethers. A new TLC test has been developed to distinguish between the cryptands and the bis(aza-crown)s. Log K values for the interaction of two cryptands, each containing two propylene bridges in one arm, with various cations were determined. The results show a much weaker interaction of the cryptands containing two propylene bridges with various cations than that for the corresponding cryptands with only ethylene bridges. The most stable complexes of these new propylene-containing cryptands were those involving Ba2+ and Sr2+ ions. X-ray analyses of three cryptands, each of which has the [18]N2O4 macrocycle as part of its structure, show different organizations for the ring heteroatoms.
• Ligandstruktur und komplexierung, VIII: Pyridinophan-Kryptate
  作者：Von Winfried Wehner、Fritz Vögtle

  DOI：10.1016/s0040-4039(00)91745-3

  日期：1976.7
• PIETRASZKIEWICZ, MAREK;GASIOROWSKI, RAFAL;KOZBIAL, MALGORZATA, J. INCL. PHENOM., 7,(1989) N, C. 309-311
  作者：PIETRASZKIEWICZ, MAREK、GASIOROWSKI, RAFAL、KOZBIAL, MALGORZATA

  DOI：——

  日期：——