ethyl 3-(4-methylphenyl)-3-phenylpropanoate | 126838-33-3

• 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: ethyl 3-(4-methylphenyl)-3-phenylpropanoate
• 英文别名: ethyl 3-phenyl-3-(p-tolyl)-propanoate；ethyl-3-phenyl-3-p-tolyl-propionate；ethyl 3-phenyl-3-p-tolylpropionate；3-phenyl-3-p-tolyl-propionic acid ethyl ester；3-Phenyl-3-p-tolyl-propionsaeure-aethylester
• CAS: 126838-33-3
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: GHRCUQBNOWDIGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 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：

  alkaline earth salt of/the/ methylsulfuric acid 在 镍 作用下， 生成 ethyl 3-(4-methylphenyl)-3-phenylpropanoate
  参考文献：
  名称：

  v. Braun; Manz; Reinsch, Justus Liebigs Annalen der Chemie, 1929, vol. 468, p. 288

  摘要：

  DOI：

文献信息

• Method of using rhodium quinonoid catalysts
  申请人：Trenkle C. William

  公开号：US20070123715A1

  公开（公告）日：2007-05-31

  In accordance with aspects of the invention methods of using rhodium hydroquinone catalysts for the conjugate addition of boronic acids are disclosed.

  根据发明的某些方面，公开了使用铑对苯二酚催化剂进行硼酸偶联加成的方法。
• Rhodium quinonoid catalysts
  申请人：Sweigart A. Dwight

  公开号：US20070117981A1

  公开（公告）日：2007-05-24

  In accordance with one aspect of the invention a rhodium quinonoid catalyst is disclosed.

  根据发明的某一方面，公开了一种铑醌类催化剂。
• Pd(II)-Bipyridine Catalyzed Conjugate Addition of Arylboronic Acid to α,β-Unsaturated Carbonyl Compounds
  作者：Xiyan Lu、Shaohui Lin

  DOI：10.1021/jo051561h

  日期：2005.11.1

  A Pd(II)-catalyzed conjugate addition of arylboronic acid to α,β-unsaturated ketones, aldehydes, esters, etc. in the presence of 2,2‘-bipyridine was developed. A mechanism involving transmetalation, insertion of the carbon−carbon double bond into the C−Pd bond, and protonolysis of the resulting C−Pd bond is proposed. The reaction conditions are mild and the yield is high. The presence of 2,2‘-bipyridine

  在2,2'-联吡啶存在下，开发了Pd（II）催化的芳基硼酸与α，β-不饱和酮，醛，酯等的共轭加成反应。提出了涉及金属转移，碳-碳双键插入C-Pd键以及生成的C-Pd键的质子分解的机理。反应条件温和，产率高。2，2′-联吡啶的存在对于抑制β-氢化物消除的反应是至关重要的。
• New imidazopyridine derivatives as angiotensin II antagonists
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0669333A1

  公开（公告）日：1995-08-30

  The present invention relates to new imidazopyridine derivatives of formula I wherein: one of A, B, C and D is N and the other are CR, wherein each R independently represents hydrogen, C1-4 alkyl, COOH or halogen; R1 represents C1-4 alkyl or C3-7 cycloalkyl; Ar1 represents phenylene or pyridylene which can be optionally substituted; V represents C1-4 alkyl, C3-7 cycloalkyl, aryl, aryl-(C1-4)alkyl or a 5- or 6-membered aromatic heterocycle; the group X-Y represents C = C or CH-CR3; R3 represents hydrogen, C1-4 alkyl or aryl-(C1-4)alkyl; Z represents among others -CO2R4, -tetrazol-5-yl, -CONHS02R4, -CONR4R5, -CH2NHSO2R4; R4 and R5 independently represent hydrogen, C1-4 alkyl, aryl, aryl-(C1-4)alkyl or perfluoro-(C1-4)alkyl; W represents hydrogen, cyano, C1-4 alkyl, C1-4 haloalkyl, C3-7 cycloalkyl, aryl, aryl-(C1-4)alkyl, C1 -4 alkylsulfonyl, C1 -4 alkylsulfinyl, C1 -4 alkylthio, C1 -4 alkoxy, C1-4 alkylcarbonyl, halogen, hydroxymethyl or C1-4 alkoxymethyl, or W can have any of the meanings disclosed for Z. These compounds are angiotensin II antagonists.

  本发明涉及公式I的新咪唑吡啶衍生物，其中：A、B、C和D中的一个为N，另外三个为CR，其中每个R独立地代表氢、C1-4烷基、COOH或卤素；R1代表C1-4烷基或C3-7环烷基；Ar1代表苯基或吡啶基，可以选择性地被取代；V代表C1-4烷基、C3-7环烷基、芳基、芳基-(C1-4)烷基或5-或6-成员芳香杂环；X-Y基团代表C = C或CH-CR3；R3代表氢、C1-4烷基或芳基-(C1-4)烷基；Z代表等等的基团之一，如-CO2R4、-四唑-5-基、-CONHSO2R4、-CONR4R5、-CH2NHSO2R4；R4和R5独立地代表氢、C1-4烷基、芳基、芳基-(C1-4)烷基或全氟-(C1-4)烷基；W代表氢、氰基、C1-4烷基、C1-4卤代烷基、C3-7环烷基、芳基、芳基-(C1-4)烷基、C1-4烷基磺酰基、C1-4烷基亚砜基、C1-4烷基硫基、C1-4烷氧基、C1-4烷基羰基、卤素、羟甲基或C1-4烷氧甲基，或W可以具有Z所披露的任何含义。这些化合物是血管紧张素II拮抗剂。
• Rh-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids to 3-Arylpropenoates: Enantioselective Synthesis of (R)-Tolterodine
  作者：Valerio Zullo、Anna Iuliano

  DOI：10.1002/ejoc.201801690

  日期：2019.2.14

  Deoxycholic acid derived binaphthyl phosphites promote a highly enantioselective Rh‐catalyzed conjugate addition of arylboronic acids to 3‐arylpropenoates, giving useful chiral building blocks for the synthesis of biologically active compounds. The protocol was successfully applied to the enantioselective synthesis of the antimuscarinic drug (R)‐tolterodine.

  脱氧胆酸衍生的亚萘基亚磷酸酯可将芳基硼酸高度对映体的Rh催化的Rh催化共轭加成到3-芳基丙酸酯中，为合成生物活性化合物提供了有用的手性结构单元。该协议已成功应用于抗毒蕈碱药物（R）-托特罗定的对映选择性合成。