ethyl 3-methyl-3-p-nitrophenylpropionate | 111654-20-7

• 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-methyl-3-p-nitrophenylpropionate
• 英文别名: ethyl 3-(4-nitrophenyl)butanoate
• CAS: 111654-20-7
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: RZWOXMGDYCAISH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 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：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-苯氧基苄醇 、 ethyl 3-methyl-3-p-nitrophenylpropionate 在 tetrabutoxytitanium 作用下， 生成 3-phenoxybenzyl 3-methyl-3-p-nitrophenylpropionate
  参考文献：
  名称：

  Kelkar, S. V.; Joshi, G. S.; Kulkarni, G. H., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 68 - 70

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-硝基苯基)乙醇 在 potassium acetate 、 三溴化磷 、 sodium hydride 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 ethyl 3-methyl-3-p-nitrophenylpropionate
  参考文献：
  名称：

  Kelkar, S. V.; Joshi, G. S.; Kulkarni, G. H., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 68 - 70

  摘要：

  DOI：

文献信息

• Highly Enantioselective Iridium-Catalyzed Hydrogenation of α,β-Unsaturated Esters
  作者：Jia-Qi Li、Xu Quan、Pher G. Andersson

  DOI：10.1002/chem.201200907

  日期：2012.8.20

  α,β‐Unsaturated esters have been employed as substrates in iridium‐catalyzed asymmetric hydrogenation. Full conversions and good to excellent enantioselectivities (up to 99 % ee) were obtained for a broad range of substrates with both aromatic‐ and aliphatic substituents on the prochiral carbon. The hydrogenated products are highly useful as building blocks in the synthesis of a variety of natural

  在铱催化的不对称氢化反应中，α，β-不饱和酯已被用作底物。对于在手性碳上同时具有芳族和脂族取代基的多种底物，可实现完全转化和良好至优异的对映选择性（高达99％  ee）。氢化产物在多种天然产物和药物的合成中作为构建基非常有用。
• Substituted bicyclic compounds
  申请人：——

  公开号：US20020137782A1

  公开（公告）日：2002-09-26

  The invention is directed to physiologically active compounds of formula (Ia): 1 wherein R 1 is optionally substituted aryl or optionally substituted heteroaryl; R 2 is hydrogen, halogen, lower alkyl or lower alkoxy; R 3 is alkylene, alkenylene or alkynylene; R 5 is hydrogen or lower alkyl; L 2 is optionally substituted alkylene or alkenylene; Y is carboxy; and Z 1 is NR 5 ; and the corresponding N-oxides, and their prodrugs; and pharmaceutically acceptable salts and solvates (e.g. hydrates) of such compounds and their N-oxides and prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (&agr;4&bgr;1).

  该发明涉及式(Ia)的生理活性化合物： 其中R1是可选择取代的芳基或可选择取代的杂环芳基；R2是氢、卤素、低碳基或低烷氧基；R3是烷基、烯基或炔基；R5是氢或低碳基；L2是可选择取代的烷基或烯基；Y是羧基；Z1是NR5；以及相应的N-氧化物，它们的前药；以及这些化合物及其N-氧化物和前药的药学上可接受的盐和溶剂化合物（例如水合物）。 这些化合物具有有价值的药理特性，特别是调节VCAM-1和纤维连接蛋白与整合素VLA-4（α4β1）相互作用的能力。
• Efficient one-pot synthesis of dihydroquinolinones in water at room temperature
  作者：Anna M. Linsenmeier、Wilfried M. Braje

  DOI：10.1016/j.tet.2015.07.016

  日期：2015.9

  A mild and robust one-pot protocol for the Rh-catalyzed 1,4-addition of 2-aminoboronic acid to alpha,beta-unsaturated esters for the efficient synthesis of dihydroquinolinones has been developed. Furthermore the addition of a variety of substituted boronic acids to diverse alpha,beta-unsaturated esters has been investigated. The reactions proceed in water containing catalytic amounts of the commercially available designer surfactant TPGS-750-M (via the formation of nanomicelles). This mild and easy to perform process proceeds at room temperature and tolerates a wide range of functionalities. (C) 2015 Elsevier Ltd. All rights reserved.
• KELKAR, S. V.;JOSHI, G. S.;KULKARNI, G. H.;MITRA, R. B., INDIAN J. CHEM., 26,(1987) N 1, 68-70
  作者：KELKAR, S. V.、JOSHI, G. S.、KULKARNI, G. H.、MITRA, R. B.

  DOI：——

  日期：——
• BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS
  申请人：Aventis Pharma Limited

  公开号：EP1153017B1

  公开（公告）日：2006-05-03