Buttersaeure-<1-phenyl-aethylester> | 91668-61-0

• 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: Buttersaeure-<1-phenyl-aethylester>
• 英文别名: propyl 2-phenylpropanoate；Propyl hydratropate
• CAS: 91668-61-0
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: UTCZKUBBYSOMTC-UHFFFAOYSA-N

物化性质

• 沸点：
  251.4±9.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (异丙基碳酸)2-苯基丙酸酐 、 丙醇 生成 Buttersaeure-<1-phenyl-aethylester>
  参考文献：
  名称：

  Guibe-Jampel Eryka, Bassir Mohamed, Tetrahedron Lett, 35 (1994) N 3, S 421-422

  摘要：

  DOI：

文献信息

• Novel ruthenium-catalyst for hydroesterification of olefins with formates
  作者：Irina Profir、Matthias Beller、Ivana Fleischer

  DOI：10.1039/c4ob01246a

  日期：——

  An alternative ruthenium-based catalyst for the hydroesterification of olefins with formates is reported. The good activity of our system is ensured by the use of a bidentate P,N-ligand and ruthenium dodecacarbonyl. A range of formates can be used for selective alkoxycarbonylation of aromatic olefins. In addition, the synthesis of selected aliphatic esters is realized. The proposed active ruthenium complex has been isolated and characterized.

  报道了一种用于烯烃与甲酸盐的氢酯基化的替代钌基催化剂。通过使用双齿P,N配体和十二羰基钌，确保了我们系统的良好活性。一系列甲酸盐可用于选择性芳香烯烃的烷氧羰基化。此外，实现了选择性脂肪酯的合成。所提出的活性钌配合物已被分离并表征。
• Palladium complexes of bulky ortho-trifluoromethylphenyl-substituted phosphines: Unusually regioselective catalysts for the hydroxycarbonylation and alkoxycarbonylation of alkenes
  作者：Arnald Grabulosa、Jamie J.R. Frew、José A. Fuentes、Alexandra M.Z. Slawin、Matthew L. Clarke

  DOI：10.1016/j.molcata.2010.06.026

  日期：2010.9

  The palladium complexes of tert-butyl(ortho-trifluoromethylphenyl)methyl phosphine and tert-butyl(ortho-trifluoromethylphenyl)(n-butyl)phosphine were characterised by X-ray crystallography and shown to be good precatalysts for the hydroxy- and alkoxycarbonylation of alkenes relative to Pd complexes of tricyclohexylphosphine and triphenylphosphine. A notable feature of Pd complexes of tert-butyl(o

  为了评估空间和电子效应对配体配位能力的影响，已经研究了同时含有叔丁基和邻三氟甲基苯基取代基的非常庞大的膦配体与[PdCl 2（PhCN）2 ]的反应。的钯络合物叔丁基（邻三氟甲基苯基）甲基膦和叔丁基（邻三氟甲基苯基）（N-X射线晶体学表征了丁基）膦，相对于三环己基膦和三苯基膦的Pd配合物，它们是烯烃的羟基和烷氧羰基化的良好预催化剂。叔丁基（邻-三氟甲基苯基）甲基膦的Pd配合物的显着特征是，即使不使用氯化锂助催化剂，相对于苯乙烯羟基羰基化中现有的最先进催化剂，其区域选择性也显着提高。从大锥角的配体衍生的这些催化剂用乙醇始终得到较高的区域选择性在苯乙烯的烷氧基羰基，正丙醇和异丙醇为亲核试剂。这些Pd配合物在活化的芳基氯的Suzuki偶联中也有活性，在羰基化和Suzuki反应中，叔丁基（邻三氟甲基苯基）甲基膦比其庞大的类似物能提供更多的催化剂。
• Hydroesterification of styrene derivatives catalyzed by an acidic resin supporting palladium complexes
  作者：Zhenhong He、Zhenshan Hou、Yanping Luo、Yierxiati Dilixiati、Wumanjiang Eli

  DOI：10.1039/c3cy00842h

  日期：——

  Pd–TPPTS–OTPPTS (denoted as Pd–P–OP, where TPPTS was the sodium salt of tri(m-sulfophenyl)phosphine and OTPPTS was the oxidized form of TPPTS) complexes supported on acidic resins (denoted as Pd–P–OP/resin) were prepared and employed as versatile heterogeneous catalysts for the hydroesterification of vinyl-aromatics with alcohols. The catalysts were characterized by the methods of FT-IR, XPS, N2 physisorption, XRD, TGA, SEM and 31P NMR. According to the 31P NMR results, there was a weak coordination between OTPPTS and the Pd sites. Consequently, OTPPTS was a weak ligand to the Pd sites and thus dissociated easily, acting as a protective agent of the vacant coordination site of the Pd metal sites, which allowed the substrates more access to the metal sites. In the hydroesterification of styrene, the distribution of the branched and linear esters was remarkably impacted by adding an appropriate amount of OTPPTS and the acidic resin supports. A high yield and excellent selectivity towards the branched ester were obtained when OTPPTS and TPPTS were used in equimolar amounts under optimized reaction conditions. The generality and recyclability of the catalyst for the hydroesterification of vinyl-aromatics were also examined. In addition, the poisoning and hot filtration tests indicated that Pd(0) acted as the active species in a truly heterogeneous way. A Pd–hydride mechanism was proposed for the hydroesterification over the Pd–P–OP/LSI-600 catalyst.

  制备了支撑在酸性树脂（Pd-P-OP/树脂）上的 Pd-TPPTS-OTPPTS 复合物（简称 Pd-P-OP，其中 TPPTS 为三(间磺酰基苯基)膦的钠盐，OTPPTS 为 TPPTS 的氧化形式），并将其用作乙烯基芳烃与醇类进行酯化反应的多功能异相催化剂。催化剂的表征方法包括 FT-IR、XPS、N2 物理吸附、XRD、TGA、SEM 和 31P NMR。31P NMR 结果表明，OTPPTS 与钯位点之间的配位很弱。因此，OTPPTS 是钯位点的弱配位体，因此很容易解离，起到了保护钯金属位点空闲配位位点的作用，使底物有更多机会进入金属位点。在苯乙烯的水解酯化过程中，加入适量的 OTPPTS 和酸性树脂支持物会显著影响支链酯和线性酯的分布。在优化的反应条件下，以等摩尔量使用 OTPPTS 和 TPPTS，可获得高产率和对支链酯的良好选择性。研究还考察了催化剂在乙烯基芳烃酯化反应中的通用性和可回收性。此外，中毒和热过滤测试表明，Pd(0) 以真正的异构方式作为活性物种。提出了 Pd-P-OP/LSI-600 催化剂的氢酯化机理。
• Ligand-enabled palladium-catalyzed hydroesterification of vinyl arenes with high linear selectivity to access 3-arylpropanoate esters
  作者：Zhixin Deng、Sheng Han、Miaolin Ke、Yingtang Ning、Fen-Er Chen

  DOI：10.1039/d2cc00228k

  日期：——

  Palladium-catalyzed linear-selective hydroesterification of vinyl arenes with alcohols enabled by diphosphine ligands derived from bis[2-(diphenylphosphino)ethyl]amides has been developed. A variety of 3-arylpropanoate esters were obtained in high yields and regioselectivity. The robustness of this methodology was further demonstrated by the efficient gram-scale synthesis of the ethyl 3-phenylpropanoate

  已经开发了由衍生自双[2-(二苯基膦基)乙基]酰胺的二膦配体实现的乙烯基芳烃与醇的钯催化线性选择性加氢酯化反应。以高产率和区域选择性获得了多种 3-芳基丙酸酯。3-苯基丙酸乙酯作为氢化肉桂酸前体的有效克级合成进一步证明了该方法的稳健性。
• Regioselective hydroesterification of alkenes and alkenylphenols utilizing CO₂ and hydrosilane
  作者：Meng-Meng Wang、Sheng-Mei Lu、Can Li

  DOI：10.1039/d3sc01114c

  日期：——

  Regioselective hydroesterification of alkenes and alkenylphenols was achieved utilizing CO₂ as a CO source with the assistance of PMHS.

  在 PMHS 的帮助下，利用 CO2 作为 CO 源，实现了烯烃和烯基苯酚的区域选择性酯化。