Pentachlor--triphosphonitril | 3998-23-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Pentachlor--triphosphonitril
• 英文别名: Pentachlorbutylaminocyclotriphosphattriazin
• CAS: 3998-23-0
• 化学式: C₄H₁₀Cl₅N₄P₃
• 分子量: 384.336
• InChiKey: UFBYZVORJVMMMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.42
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.11
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Pentachlor--triphosphonitril 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 7,14-Dibutyl-2,2,4,4,10,10,12,12-octachloro-1,3,5,7,9,11,13,14-octaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphadispiro[5.1.58.16]tetradeca-1(6),2,4,8,10,12-hexaene
  参考文献：
  名称：

  Synthesis and stereogenic properties of N,N -spiro bridged bis(cyclotriphosphazene) compounds containing two equivalent chiral centres

  摘要：

  The stereogenic properties of N,N-spiro bridged bis(cyclotriphosphazene) compound having four potential stereogenic phosphorus centres have been investigated. Two reaction pathways, in which same reactions were done in different order, were used to determine the isomer variety and to compare them. When the first route included unsymmetrically substitution (2-methylaminoethanol), aminolysis (n-butylamine) and deprotonation (sodium hydride) reaction steps, respectively, the second route consisted of aminolysis (n-butylamine), deprotonation (sodium hydride) and unsymmetrically substitution (2-methylaminoethanol) reaction steps, respectively. Both routes resulted in formation of the same products (4a and 4d) containing two equivalent chiral centres. The structures and stereogenic properties of the products, 4a and 4d were characterized by X-ray crystallography and P-31 NMR spectroscopy on addition of the chiral solvating agent which is (R)-(+)-2,2,2-trifluoro-1-(9-anthryl)ethanol. These new di-spiro derivatives (4a and 4d) bring about trans-trans and cis-cis geometric isomers and they are meso due to centre of the symmetry and plane of the symmetry. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.07.021
• 作为产物：
  描述：

  正丁胺 在 六氯环三磷腈 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Pentachlor--triphosphonitril
  参考文献：
  名称：

  Synthesis and stereogenic properties of N,N -spiro bridged bis(cyclotriphosphazene) compounds containing two equivalent chiral centres

  摘要：

  The stereogenic properties of N,N-spiro bridged bis(cyclotriphosphazene) compound having four potential stereogenic phosphorus centres have been investigated. Two reaction pathways, in which same reactions were done in different order, were used to determine the isomer variety and to compare them. When the first route included unsymmetrically substitution (2-methylaminoethanol), aminolysis (n-butylamine) and deprotonation (sodium hydride) reaction steps, respectively, the second route consisted of aminolysis (n-butylamine), deprotonation (sodium hydride) and unsymmetrically substitution (2-methylaminoethanol) reaction steps, respectively. Both routes resulted in formation of the same products (4a and 4d) containing two equivalent chiral centres. The structures and stereogenic properties of the products, 4a and 4d were characterized by X-ray crystallography and P-31 NMR spectroscopy on addition of the chiral solvating agent which is (R)-(+)-2,2,2-trifluoro-1-(9-anthryl)ethanol. These new di-spiro derivatives (4a and 4d) bring about trans-trans and cis-cis geometric isomers and they are meso due to centre of the symmetry and plane of the symmetry. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.07.021

文献信息

• Studies in cyclophosphazenes. Part 9. Influence of the steric requirements of the amino-substituents on the rates of amination of 2-amino-2,4,4,6,6-pentachlorocyclotri(λ⁵-phosphazenes)
  作者：Jacob M. E. Goldschmidt、Eliahu Licht

  DOI：10.1039/dt9810000107

  日期：——

  determined showed that steric effects are only very small. To resolve the conflict between these findings and others in the literature in which appreciable steric influences were observed, the division of these amination reactions into three classes, each of which is affected by steric factors in its own way, is proposed. This enables much of the kinetic and preparative data on steric effects in these reactions

  N 3 P 3 Cl 5（NRR'）（R = Bu n，R'= H; R = R'= Bu n ; R = Pr i，R'= H ; RR'= C 5 H 10），用二甲胺在四氢呋喃中于两个温度下制备非二元取代的产物，目的是阐明氨基取代基在这些反应中的空间效应。确定的速率常数和激活参数的值表明，空间效应仅很小。为了解决这些发现与其他文献中观察到明显的空间影响之间的冲突，提出了将这些胺化反应分为三类的方法，每种方法均受空间因素的影响。这样一来，就可以在一个一般假设的框架内合理化关于这些反应中空间效应的许多动力学和制备数据。
• Conversion of a Cyclotriphosphazene to a Cyclohexaphosphazene by Ring Expansion
  作者：Serap Beşli、Fatma Yuksel、David B. Davies、Adem Kılıç

  DOI：10.1021/ic300728j

  日期：2012.6.18

  Deprotonation of a cyclotriphosphazene with a tert-butylamino group in the side chain results in ring expansion to a very stable, planar cyclohexaphosphazene derivative that still contains eight P-Cl bonds suitable for forming macromolecular structures.
• Shvetsov-Shilovskii,N.I.; Pitina,M.R., Journal of General Chemistry of the USSR, 1971, vol. 41, p. 1028 - 1031
  作者：Shvetsov-Shilovskii,N.I.、Pitina,M.R.

  DOI：——

  日期：——