4,4-dimethyl-2-[methoxy(diphenylphosphine)]-4,5-dihydrooxazole | 932015-63-9

• 分子结构分类: 有机化合物
• 英文名称: 4,4-dimethyl-2-[methoxy(diphenylphosphine)]-4,5-dihydrooxazole
• 英文别名: 1-[4,4-dimethyl-2-(1-oxy(diphenylphosphino)-1-methyl)]-4,5-dihydrooxazole；(4,4-dimethyl-2-oxazolylmethoxy)diphenylphosphine；[(4,4-dimethyl-4,5-dihydrooxazolyl-2-yl)methoxy]diphenylphosphine；2-((diphenylphosphinooxy)methyl)-4,4-dimethyl-4,5-dihydrooxazole；(4,4-dimethyl-5H-1,3-oxazol-2-yl)methoxy-diphenylphosphane
• CAS: 932015-63-9
• 化学式: C₁₈H₂₀NO₂P
• 分子量: 313.336
• InChiKey: ZPKSRMXZRDFBIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4-dimethyl-2-[methoxy(diphenylphosphine)]-4,5-dihydrooxazole 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  膦酰-和膦腈-恶唑啉Pd（II）配合物作为CO /乙烯插入中间体：合成和结构表征

  摘要：

  磷脂酰肌醇恶唑啉 配体4,4-二甲基-2- [甲氧基（二苯基膦）]-4,5-二氢恶唑（2a）和亚膦酸酯-恶唑啉 配体通过对苯甲酸脱质子化反应制得4,4-二甲基-2- [甲氧基（6 H -dibenz [ c，e ] [1,2]氧磷膦）]-4,5-二氢恶唑（8a）。（4,5-二氢-4,4-二甲基恶唑-2-基）甲醇（1a）以及与相应的P–Cl功能的反应，类似于配体 2b（4,4-二甲基-2- [1-氧（二苯基膦）-1-甲基乙基] -4,5-二氢恶唑）和8b（4,4-二甲基-2- [1-氧（6H-dibenz）c，e ] [1,2，氧杂磷酰）-1-甲基乙基] -4,5-二氢恶唑）。这些配体与[PdClX（COD）]反应，得到类型为[PdClX（P，N）]的络合物（3a P，N = 2a，X = Cl; 4a P，N = 2a，X = Me; 4b P，N = 2b，X = Me; 9a P，N =

  DOI：

  10.1039/b616962g
• 作为产物：
  描述：

  (4,5-dihydro-4,4-dimethyloxazol-2-yl)methanol 、 二苯基氯化膦 在 正丁基锂 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 2.0h， 以83%的产率得到4,4-dimethyl-2-[methoxy(diphenylphosphine)]-4,5-dihydrooxazole
  参考文献：
  名称：

  膦酰-和膦腈-恶唑啉Pd（II）配合物作为CO /乙烯插入中间体：合成和结构表征

  摘要：

  磷脂酰肌醇恶唑啉 配体4,4-二甲基-2- [甲氧基（二苯基膦）]-4,5-二氢恶唑（2a）和亚膦酸酯-恶唑啉 配体通过对苯甲酸脱质子化反应制得4,4-二甲基-2- [甲氧基（6 H -dibenz [ c，e ] [1,2]氧磷膦）]-4,5-二氢恶唑（8a）。（4,5-二氢-4,4-二甲基恶唑-2-基）甲醇（1a）以及与相应的P–Cl功能的反应，类似于配体 2b（4,4-二甲基-2- [1-氧（二苯基膦）-1-甲基乙基] -4,5-二氢恶唑）和8b（4,4-二甲基-2- [1-氧（6H-dibenz）c，e ] [1,2，氧杂磷酰）-1-甲基乙基] -4,5-二氢恶唑）。这些配体与[PdClX（COD）]反应，得到类型为[PdClX（P，N）]的络合物（3a P，N = 2a，X = Cl; 4a P，N = 2a，X = Me; 4b P，N = 2b，X = Me; 9a P，N =

  DOI：

  10.1039/b616962g

文献信息

• Mono- and dinuclear cobalt complexes with chelating or bridging bidentate P,N phosphino- and phosphinito-oxazoline ligands: synthesis, structures and catalytic ethylene oligomerisation
  作者：Suyun Jie、Magno Agostinho、Anthony Kermagoret、Catherine S. J. Cazin、Pierre Braunstein

  DOI：10.1039/b706818b

  日期：——

  All these complexes are paramagnetic and their magnetic moments in solution were measured by the Evans method. Complexes 6–10 were evaluated in the catalytic oligomerisation of ethylene with AlEtCl2 or methylaluminoxane (MAO) as cocatalysts and provided moderate activities. In the presence of AlEtCl2 (6–14 equiv.), the selectivities for ethylene dimers were higher than 92% and complex 8 showed the

  [CoCl 2（P，N）]类型的钴（II）配合物，其中P，N代表异双膦或膦基-恶唑啉-类型 配体，已经合成并具有以下特征 红外光谱 和 元素分析。它们的分子结构由单晶X射线衍射在固态。膦-恶唑啉配合物[CoCl 2 Ph 2 PCH 2 ox Me2 }]（Ph 2 PCH 2 ox Me2 = 2-[（（二苯基膦基）-甲基] -4,4-二甲基-4,5-二氢-恶唑）（8）和次膦酰恶唑啉配合物[CoCl 2 Ph 2 POCH 2 ox Me2 }]（Ph 2 POCH 2 ox Me2 = 1- [4,4-二甲基-2 1-氧基（二苯基膦基）-1-甲基}]-4,5-二氢-恶唑）（9）和[CoCl 2 Ph 2 POCMe 2 ox Me2 }]（Ph 2 POCMe 2 ox Me2 = 1- [4,4-二甲基-2- [1-氧（二苯基膦基）-1-甲基乙基]]- 4,5-二氢恶唑）（10）是单核膦膦恶唑啉络合物[CoCl
• Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(<scp>iii</scp>) complexes with oxazoline alcoholate ligands
  作者：Suyun Jie、Roberto Pattacini、Guillaume Rogez、Claudia Loose、Jens Kortus、Pierre Braunstein

  DOI：10.1039/b809814j

  日期：——

  complexes [Cr(2)(N,O)(3)Cl(3)] (6) (N,O = 4,4-dimethyl-2-oxazolylmethanolate), [Cr(2)(N,O(Me2))(2)(EtOH)(2)Cl(4)] (7) and [Cr(2)(N,O(Me2))(2)(H(2)O)(2)Cl(4)] (8) (N,O(Me2) = 4,4-dimethyl-2-oxazolyldimethylmethanolate) have been prepared and characterized, including by single-crystal X-ray diffraction. Complex 6 is unsymmetrical, with two chloride ligands terminally bound to one Cr atom, whereas 7 and 8 (in

  双核铬配合物[Cr（2）（N，O）（3）Cl（3）]（6）（N，O = 4,4-二甲基-2-恶唑基甲醇盐），[Cr（2）（N，O （Me2））（2）（EtOH）（2）Cl（4）]（7）和[Cr（2）（N，O（Me2））（2）（H（2）O）（2）Cl（ 4）]（8）（N，O（Me 2）＝ 4，4-二甲基-2-恶唑基二甲基甲醇酸酯）已经制备并表征，包括通过单晶X射线衍射。配合物6是不对称的，两个氯化物配体末端结合到一个Cr原子上，而分别包含两个配位乙醇或水的7和8（在8 x C（4）H（8）O中）则是中心对称的。这些铬配合物是顺磁性的，固态的6和7的磁性与反铁磁性相符，这通过DFT计算其电子结构得到了证实。在乙烯与不同的铝基助催化剂的催化低聚和/或聚合反应中，对配合物6-8进行了评估，事实证明，MMAO是最有效的配合物。在MMAO存在下，研究了Al / Cr摩尔比，反应温度和乙烯压力等不同反应
• Nickel Complexes with Phosphinito-Oxazoline Ligands: Temperature-Controlled Formation of Mono- or Dinuclear Complexes and Catalytic Oligomerization of Ethylene and Propylene
  作者：Patricia Chavez、Itzel Guerrero Rios、Anthony Kermagoret、Roberto Pattacini、Andrea Meli、Claudio Bianchini、Giuliano Giambastiani、Pierre Braunstein

  DOI：10.1021/om8009848

  日期：2009.3.23

  The complex [NiCl2Ph2POCH2OXMe2}] (Ph2POCH2OXMe2 = 2-((diphenylphosphinooxy) methyl)-4,4dimethyl-4,5-dihydrooxazole) 14 has been synthesized by reaction of solid [NiCl2(DME)] (DME = 1,2-dimethoxyethane) with a CH2Cl2 solution of the P,N ligand. X-ray diffraction studies on its red crystals established the mononuclear nature of the complex 14a, whose metal center has a distorted tetrahedral coordination geometry. Recrystallization of 14a from a toluene-pentane/CH2Cl2 solution at temperatures below 253 K afforded green crystals of the dinuclear, chloride-bridged, formula isomer complex 14b. Conversion of 14b to 14a was observed as a function of temperature, both in the solid-state and in solution. Together with other Ni(II) complexes containing a chelating P,N ligand of the type phosphino-or phosphinito-oxazoline or phosphino-thiazoline, 14a has been evaluated as precatalyst in the oligomerization of ethylene, with AlEtCl2 Or MAO as cocatalyst, or propylene, with MAO as cocatalyst. With AlEtCl2 as activator (6 equiv), the catalytic activities with ethylene were generally modest and [NiCl2Ph(2)PCH(2)ox}] (Ph(2)PCH(2)ox = 2-((diphenylphosphinooxy)methyl)-4,5-dihydrooxazole) 1 was the most active, with turnover frequencies (TOF) up to 7.9 x 10(4) mol of C2H4 (mol Ni x h)(-1), whereas 14a, activated with 2 equiv of AlEtCl2, was the most selective for ethylene dimers (up to 96%) and 1-butene (up to 22%). With MAO as cocatalyst, complex 1 was again the most active, with TOF values up to 23 x 10(4) mol Of C2H4 (mol Ni x h)(-1). The highest selectivity for butenes was observed with complex [NiCl2Ph(2)PCH(2)thiaz(Me2)}] 3. With propylene, TOFs up to 3.3 x 10(4) mol of C3H6 (mol Ni x h)(-1) were obtained with [NiCl2Ph(2)POCH(2)pyridine}] 8 and selectivities for C-6 products higher than 98.5% were observed with precatalysts 3, [NiCl2t-Bu(2)POCH(2)pyridine}] 9, and 14a.