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 | 1379112-07-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: 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
• 英文别名: 7,14-dibutyl-2,2,4,4,10,10,12,12-octachloro-1,3,5,7,9,11,13,14-octaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphadispiro[5.1.58.16]tetradeca-1(6),2,4,8,10,12-hexaene
• CAS: 1379112-07-8
• 化学式: C₈H₁₈Cl₈N₈P₆
• 分子量: 695.751
• InChiKey: PMEJNXYGRYKSJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-甲基-2-羟基乙胺 、 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 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以38%的产率得到
  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：

  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

文献信息

• 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.