(4-Hydroxy-3,5-di-tert.-butyl-phenyl)-diethylphosphono-triethoxyphosphonium-methylid | 145723-96-2

• 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: (4-Hydroxy-3,5-di-tert.-butyl-phenyl)-diethylphosphono-triethoxyphosphonium-methylid
• 英文别名: (3,5-bis-tert-butyl-4-hydroxyphenyl)diethoxyphosphoryl(triethoxy)phosphoniomethylylide；[(3,5-di-tert-butyl-4-hydroxyphenyl)(diethoxyphosphinoyl)methylene]triethoxy-λ5-phosphorane；[(3,5-Di-t-butyl-4-hydroxyphenyl)(diethoxy-phosphinoyl)methylene]triethoxy-lambda 5-phosphorane；2,6-ditert-butyl-4-[diethoxyphosphoryl-(triethoxy-λ5-phosphanylidene)methyl]phenol
• CAS: 145723-96-2
• 化学式: C₂₅H₄₆O₇P₂
• 分子量: 520.584
• InChiKey: QRCGGAKFWOMYJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-Hydroxy-3,5-di-tert.-butyl-phenyl)-diethylphosphono-triethoxyphosphonium-methylid 在 盐酸 作用下， 以81%的产率得到tetraethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methylenediphosphonate
  参考文献：
  名称：

  Gross, Hans; Keitel, Iris; Costisella, Burkhard, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 70, # 3/4, p. 331 - 338

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-di-tert-butyl-4-chloromethylenecyclohexa-2,5-dienone 、 亚磷酸三乙酯 以 正己烷 为溶剂， 反应 1.0h， 以62%的产率得到(4-Hydroxy-3,5-di-tert.-butyl-phenyl)-diethylphosphono-triethoxyphosphonium-methylid
  参考文献：
  名称：

  Study of the reaction of 4-chloromethylene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one with the P(III) acids esters

  摘要：

  The main stable products of the reactions 4-chloromethylene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one with triethyl phosphite and ethyl diphenylphosphinite are the phosphorylated phosphorus ylides, 3,3',5,5'-tetra-tert-butylstilbenequinone, and biphosphorylated sterically hindered phenols.

  DOI：

  10.1134/s1070363212020089

文献信息

• Reaction of esters of PIII acids with 2,6-di-tert-butyl-4-chloromethylidenecyclohexa-2,5-dienone
  作者：M. B. Gazizov、R. K. Ismagilov、L. P. Shamsutdinova、A. L. Tarakanova、R. F. Karimova

  DOI：10.1007/s11172-016-1682-7

  日期：2016.12

  A reaction of PIII acid esters with 2,6-di-tert-butyl-4-chloromethylidenecyclohexa-2,5-dienone leads to the formation of phosphorylated phosphorus ylides, 3,3’,5,5’-tetra-tert-butylstilbenequinone, and diphosphorylated sterically hindered phenols. The schemes for the formation of these products through the primary key intermediates of betaine and phosphorus ylide structures were suggested.

  PIII 酸酯与 2,6-二叔丁基-4-氯亚甲基环己-2,5-二烯酮的反应导致磷酸化磷叶立德、3,3',5,5'-四叔丁基芪醌的形成和二磷酸化位阻酚。提出了通过甜菜碱和磷叶立德结构的主要关键中间体形成这些产品的方案。
• On the reaction of 4-chloromethylene-2,6-di-tert-buthylcyclohexa- 2,5-dien-1-one with P(III) acids esters
  作者：M. B. Gazizov、R. K. Ismagilov、L. P. Shamsutdinova、R. F. Karimova、R. B. Zamaletdinov、O. G. Sinyashin

  DOI：10.1134/s1070363209010307

  日期：2009.1

  with investigations on reactions of organic halides with aprotic reagents [1, 2], we pioneered in studying reactions of 4-chloromethylene2,6-di-tert-butylcyclohexa-2,6-dien-1-one I (chloromethylenequinone) with P(III) acids esters, such as triethyl phosphite IIа and ethyl diphenylphosphinite IIb. Phosphorylated ylides VII were established to be the main products of the reaction of chloromethylenequinone
• Gross, H.; Keitel, I.; Costisella, B., Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 75, # 1-4, p. 83 - 86
  作者：Gross, H.、Keitel, I.、Costisella, B.

  DOI：——

  日期：——