2,4,6-tris(2,6-di-tert-butyl-4-methylphenoxy)-1,3,5,2,4,6,trioxatriphosphorinane | 96357-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4,6-tris(2,6-di-tert-butyl-4-methylphenoxy)-1,3,5,2,4,6,trioxatriphosphorinane
• 英文别名: 2,4,6-tris(2,6-di-t-butyl-4-methylphenoxy)-1,3,5,2,4,6-trioxatriphosphorinane；2,4,6-Tris(2,6-ditert-butyl-4-methylphenoxy)-1,3,5,2,4,6-trioxatriphosphinane
• CAS: 96357-74-3
• 化学式: C₄₅H₆₉O₆P₃
• 分子量: 798.961
• InChiKey: PJJQIUFZGMDYEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  675.3±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,4,6-tris(2,6-di-tert-butyl-4-methylphenoxy)-1,3,5,2,4,6,trioxatriphosphorinane 在 水 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 2.0h， 生成 Phosphoric acid 2,6-di-tert-butyl-4-methyl-phenyl ester 2,3,4,5-tetrachloro-6-hydroxy-phenyl ester
  参考文献：
  名称：

  Quin, Louis D.; Ionkin, Alexey S., Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 103, # 1-4, p. 205 - 214

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二叔丁基-4-甲基苯酚 在 三正丁胺 、 水 、 丙酮 、 三氯化磷 作用下， 生成 2,4,6-tris(2,6-di-tert-butyl-4-methylphenoxy)-1,3,5,2,4,6,trioxatriphosphorinane
  参考文献：
  名称：

  2,4,6-Tris（2,6-二叔丁基-4-取代的苯氧基）-1,3,5,2,4,6-三氧三磷正烷。新型磷（III）-氧杂环族的合成，表征，x射线结构和固态磷31 NMR。

  摘要：

  DOI：

  10.1021/ja00279a047

文献信息

• 2,4-bis-(2,6-di-t-alkyl-4-substituted-phenoxy)-1
  申请人：The B. F. Goodrich Company

  公开号：US04590017A1

  公开（公告）日：1986-05-20

  2,4-bis(2,6-di-t-alkyl-4-substituted-phenoxy)-1,3,2,4-dioxadiphosphetanes are prepared from 2,4,6-tris(substituted phenoxy)-1,3,5,2,4,6-trioxatriphosphorinanes.

  2,4-双(2,6-二-t-烷基-4-取代苯氧基)-1,3,2,4-二氧杂二磷烷从2,4,6-三(取代苯氧基)-1,3,5,2,4,6-三氧杂磷环戊烷制备而来。
• Experiments on the generation of 2-coordinate phosphoryl species by fragmentation of 7-phosphanorbornene and 3-phospholene derivatives
  作者：Louis D. Quin、Stefan Jankowski、Juliusz Rudzinski、Anthony G. Sommese、Xiao Ping Wu

  DOI：10.1021/jo00075a014

  日期：1993.11

  2,6-Di-tert-butyl-4-methylphenylphosphenite (ArOP=O) was released into the gas phase on heating a neat sample of a 7-phosphanorbornene derivative 6 bearing this aryloxy substituent at 300-degrees-C (0.01 mm). Attempts to prepare 1-adamantyl phosphenite similarly were not successful. Irradiation of 6 in 1,2-dichloroethane at 254 nm failed to cause release of the phosphenite, but when some alcohol was present fragmentation proceeded readily to give the H-phosphonate (ArOPH(O)OR). It was deduced that the species undergoing the fragmentation was a 5-coordinate adduct of 6 and the alcohol. Similar behavior was observed for the other esters and also for a P-phenyl oxide and a P-phenyl sulfide in the 7-phosphanorbornene series, as well as for a 3-phospholene oxide. Isotope exchange experiments with (OH2)-O-18 proved the influence of the irradiation on the formation and fragmentation of the 5-coordinate adduct. Earlier literature reports that 2-coordinate species are released on irradiation of 7-phosphanorbornene and 3-phospholene derivatives therefore need reinterpretation.
• Thermal Retro-Trimerization of Some 1,3,5,2,4,6-Trioxatriphosphorinanes to Phosphenites
  作者：Louis D. Quin、Alexey S. Ionkin

  DOI：10.1021/jo00121a042

  日期：1995.8

  Pyrolysis in a packed tube of the vapor from three 2,4,6-tris(aryloxy)-1,3,5,2,4,6-trioxatriphosphorinanes was performed at 300-350 degrees C and 10(-6) mm; the product was collected on a cold finger chilled by liquid nitrogen. The cracking of the trimer was complete, and the product at -195 degrees C appeared to consist only of the monomeric aryl phosphenite, ArOP=O. On warming, dimerization occurred, later followed by trimer formation. The weak P-31 MMR signal for the phosphenite (about delta 238 for three O-aryl derivatives) persisted in the solution for several weeks if water was rigorously excluded. Treatment of the phosphenite with water or alcohols at -195 degrees C gave a mixture of products; the major product (ArO-PH(O)OH) came from addition of the nucleophile to the P=O bond, but significant amounts (10-20%) of dialkyl H-phosphonates (HP(O)(OR)(2)) were present, apparently from displacement of the O-aryl substituent of the phosphenite, followed by addition to the double bond.
• Synthesis and structure of 2,4-bis(2,6-di-tert-butyl-4-methylphenoxy)-1,3,2,4-dioxadiphosphetane. An aryl phosphenite dimer
  作者：Dwight W. Chasar、John P. Fackler、Richard A. Komoroski、William J. Kroenke、Anthony M. Mazany

  DOI：10.1021/ja00253a020

  日期：1987.9
• Quin Louis D., Jankowski Stefan, Rudzinski Juliusz, Sommese Anthony G., W+, J. Org. Chem, 58 (1993) N 23, S 6212-6216
  作者：Quin Louis D., Jankowski Stefan, Rudzinski Juliusz, Sommese Anthony G., W+

  DOI：——

  日期：——