2,9,11,18,20,27,29,36-octaza-1,10,19,28-tetraphosphanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-3,5,7,12,14,16,21,23,25,30,32,34-dodecaene | 81327-50-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,9,11,18,20,27,29,36-octaza-1,10,19,28-tetraphosphanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-3,5,7,12,14,16,21,23,25,30,32,34-dodecaene
• CAS: 81327-50-6
• 化学式: C₂₄H₂₀N₈P₄
• 分子量: 544.371
• InChiKey: ZXUSDRXQAPDLSA-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C

计算性质

• 辛醇/水分配系数(LogP)：
  8.64
• 重原子数：
  36.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.08
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,9,11,18,20,27,29,36-octaza-1,10,19,28-tetraphosphanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-3,5,7,12,14,16,21,23,25,30,32,34-dodecaene 以 甲苯 为溶剂， 反应 5.0h， 生成 1,6-Bis-(2-diethylamino-2,3-dihydro-benzo[1,3,2]diazaphosphol-1-yl)-hexane-1,6-dione
  参考文献：
  名称：

  BIS- (N-ACY L-2-THIO-193,2-DIAZAPHOSPHO LINES), NOUVEAUX COMPLEXANTS PHOSPHORÉS D'IONS ALCALINO-TERREUX

  摘要：

  We describe a four step synthesis of new 1,3-dihydrobenzodiazaphospholes 3 and 6a-c, which posses one (3) or two (6a-c) N-acyl diazaphospholine moieties. Only the formation of alkaline-earth cation complexes, with 6a-c has been observed by IR and UV spectroscopies.

  DOI：

  10.1080/10426500008043663
• 作为产物：
  描述：

  邻苯二胺 在 三(二甲胺基)膦 作用下， 以 乙腈 为溶剂， 反应 0.67h， 以62%的产率得到2,9,11,18,20,27,29,36-octaza-1,10,19,28-tetraphosphanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-3,5,7,12,14,16,21,23,25,30,32,34-dodecaene
  参考文献：
  名称：

  Brǎtulescu, George, Revue Roumaine de Chimie, 2007, vol. 52, # 5, p. 467 - 469

  摘要：

  DOI：

文献信息

• Unsymmetrically substituted N-heterocyclic phosphenium ions
  作者：Dirk Schmid、Denis Bubrin、Daniela Förster、Martin Nieger、Eric Roeben、Sabine Strobel、Dietrich Gudat

  DOI：10.1016/j.crci.2010.04.020

  日期：2010.8

  Résumé Reduction of an unsymmetrically substituted α-diimine followed by condensation with PCl3 yielded a P-chloro-N-aryl-N′-alkyl diazaphospholene which was further converted into an unsymmetrical diazaphospholium triflate by reaction with trimethylsilyl triflate. Reaction of tetramers of N-H- or N-alkyl-benzo-1,3,2-diazaphospholes with methyl triflate or triflic acid led in one step to triflate salts of unsymmetrically substituted benzo-1,3,2-diazaphospholium cations. Determination of the crystal structures of two of these derivatives by single-crystal X-ray diffraction studies revealed that individual cations and anions in the crystal lattice interact via specific electrostatic, π-stacking, or van-der-Waals type interactions to form supramolecular assemblies. Thermoanalytical measurements disclosed that benzo-diazaphospholium triflates with medium length alkyl chains melt below 100 °C and exhibit a strong tendency to form supercooled liquids. Supplementary Materials: Supplementary materials for this article are supplied as separate files: mmc1.pdf mmc2.pdf mmc3.pdf

  摘要 将不对称取代的 α-二亚胺还原，然后与 PCl3 缩合，得到 P-氯-N-芳基-N′-烷基二氮磷烯。N-H- 或 N-烷基-苯并-1,3,2-二氮磷烯四聚体与三氟甲基甲烷或三氟甲酸反应，可一步生成不对称取代的苯并-1,3,2-二氮磷鎓阳离子的三氟酸盐。通过单晶 X 射线衍射研究确定了其中两种衍生物的晶体结构，发现晶格中的单个阳离子和阴离子通过特定的静电、π 堆积或范-德-瓦尔斯类型的相互作用形成超分子组装。热分析测量结果表明，具有中等长度烷基链的苯并二氮杂磷三环酸盐会在 100 °C 以下熔化，并表现出形成过冷液体的强烈倾向。 补充材料： 本文的补充材料以单独文件形式提供： mmc1.pdf mmc2.pdf mmc3.pdf
• Benzo-1,3,2-diazaphospholide and benzo-1,3,2-diazaphospholium: an isoelectronic aromatic anion–cation pair
  作者：Dirk Schmid、Sebastian Loscher、Dietrich Gudat、Denis Bubrin、Ingo Hartenbach、Thomas Schleid、Zoltán Benkő、László Nyulászi

  DOI：10.1039/b817046k

  日期：——

  Isoelectronic benzo-1,3,2-diazaphospholium cations and benzo-1,3,2-diazaphospholide anions were prepared from the same phosphazane precursor; both species display according to computational studies similar aromaticity as the neutral benzo-1,3,2-diazaphosphole but are chemically more stable due to their ionic nature.

  根据计算研究，这两种物质显示出与中性苯并-1,3,2-二氮磷环相似的芳香性，但由于其离子性质，化学性质更为稳定。
• Nitcheu, Serge Kaji T.; Malavaud, Christian; Lopez, Lucien, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 75, # 1-4, p. 245 - 248
  作者：Nitcheu, Serge Kaji T.、Malavaud, Christian、Lopez, Lucien、Rodi, Youssef Kandri、Essassi, El Mokthar

  DOI：——

  日期：——
• Malavaud, Christian; N'Gando M'Pondo, Teophile; Lopez, Lucien, Canadian Journal of Chemistry, 1984, vol. 62, p. 43 - 50
  作者：Malavaud, Christian、N'Gando M'Pondo, Teophile、Lopez, Lucien、Barrans, Jean、Legros, Jean-Pierre

  DOI：——

  日期：——
• MALAVAUD, CH.;MPONDO, TH. NGANDO;LOPEZ, L.;BARBANS, J.;LEGROS, J. -P., CAN. J. CHEM., 1984, 62, N 1, 43-50
  作者：MALAVAUD, CH.、MPONDO, TH. NGANDO、LOPEZ, L.、BARBANS, J.、LEGROS, J. -P.

  DOI：——

  日期：——