diethyl 2-(4-(benzyloxy)benzyl)-2-methylmalonate | 144871-72-7

• 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: diethyl 2-(4-(benzyloxy)benzyl)-2-methylmalonate
• 英文别名: 2-(4-benzyloxy-benzyl)-2-methyl-malonic acid diethyl ester；Diethyl methyl-(4-benzyloxy)-benzylmalonate；Diethyl 2-methyl-2-[(4-phenylmethoxyphenyl)methyl]propanedioate
• CAS: 144871-72-7
• 化学式: C₂₂H₂₆O₅
• 分子量: 370.445
• InChiKey: DNJBGPXMRDZHLR-UHFFFAOYSA-N

物化性质

• 沸点：
  473.2±35.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-(4-(benzyloxy)benzyl)-2-methylmalonate 在 盐酸 、 氢氧化钾 作用下， 以 乙醚 、 乙醇 、 水 、 乙腈 为溶剂， 生成 2-(4-benzyloxybenzyl)propionic acid
  参考文献：
  名称：

  8-substituted purines as selective adenosine receptor agents

  摘要：

  本发明涉及某些新颖的8-取代嘌呤，作为选择性A.sub.1-腺苷受体拮抗剂，可用于治疗患有阿尔茨海默病、充血性心力衰竭或肺支气管痉挛的患者。

  公开号：

  US05208240A1
• 作为产物：
  描述：

  甲基丙二酸二乙酯 、 4-苄氧基氯化苄 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 以100%的产率得到diethyl 2-(4-(benzyloxy)benzyl)-2-methylmalonate
  参考文献：
  名称：

  8-substituted purines as selective adenosine receptor agents

  摘要：

  本发明涉及某些新颖的8-取代嘌呤，作为选择性A.sub.1-腺苷受体拮抗剂，可用于治疗患有阿尔茨海默病、充血性心力衰竭或肺支气管痉挛的患者。

  公开号：

  US05208240A1

文献信息

• [EN] NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME<br/>[FR] NOUVEAUX COMPOSES AGONISTES DE PPAR DOLLAR G(G) ET PPAR DOLLAR G(A), LEUR METHODE DE PREPARATION ET COMPOSITION PHARMACEUTIQUE LES CONTENANT
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005040127A1

  公开（公告）日：2005-05-06

  The present invention relates to novel compounds accelerating the activity of Peroxisome proliferator-activated receptor gamma (PPARϜ) and alpha (PPARα), processes of preparing the same, and pharmaceutical compositions containing the same as an active agent.

  本发明涉及一种新型化合物，可加速过氧化物酶体增殖物激活受体γ（PPARϜ）和α（PPARα）的活性，以及制备这种化合物的方法，以及含有该化合物作为活性成分的药物组合物。
• Novel 8-substituted purines as selective adenosine receptor agents
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0503563A2

  公开（公告）日：1992-09-16

  The present invention relates to certain novel 8-substituted purines as selective A₁-adenosine receptor antagonists which are useful in the treatment of patients suffering from Alzheimer's disease, congestive heart failure or pulmonary bronchoconstriction.

  本发明涉及某些新型 8-取代嘌呤作为选择性 A₁-腺苷受体拮抗剂，可用于治疗阿尔茨海默病、充血性心力衰竭或肺支气管收缩患者。
• US5208240A
  申请人：——

  公开号：US5208240A

  公开（公告）日：1993-05-04
• 8-substituted purines as selective adenosine receptor agents
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05208240A1

  公开（公告）日：1993-05-04

  The present invention relates to certain novel 8-substituted purines as selective A.sub.1 -adenosine receptor antagonists which are useful in the treatment of patients suffering from Alzheimer's disease, congestive heart failure or pulmonary bronchoconstriction.

  本发明涉及某些新颖的8-取代嘌呤，作为选择性A.sub.1-腺苷受体拮抗剂，可用于治疗患有阿尔茨海默病、充血性心力衰竭或肺支气管痉挛的患者。
• Development of a practical mass spectrometry based assay for determining enantiomeric excess. A fast and convenient method for the optimization of PLE-catalyzed hydrolysis of prochiral disubstituted malonates
  作者：Douglas S. Masterson、Dale A. Rosado、Cassie Nabors

  DOI：10.1016/j.tetasy.2009.05.037

  日期：2009.7

  A practical mass spectrometry-based enantioselectivity assay is presented which makes use of enantiomerically enriched, but not enantiomerically pure, probe molecules readily obtained from esterase hydrolysis of prochiral malonates. The technique presented here allows us to recycle materials obtained from esterase hydrolysis which give substantial. but synthetically insufficient, enantiomeric excess as probe molecules in an enantioselectivity assay. The enantiomerically enriched products are esterified using deuterium-labelled alcohol. The enantiomeric excess is measured using mass spectrometry (LC-MS and LDI) by measuring the D-5/H-5 ratio in the resulting products obtained from an enzymatic hydrolysis. The D-5/H-5 ratio is corrected to account for the enantiomeric purity of the probe. Herein we report the results obtained from Pig Liver Esterase hydrolyses of prochiral malonate esters and outline the strengths and limitations of this approach to enantioselectivity determinations. This assay strategy was able to identify reaction conditions that led to an improvement in ee from 70% ee to >97% ee in the PLE-catalyzed hydrolysis of a prochiral malonate used to prepare unnatural serine analogues. (C) 2009 Elsevier Ltd. All rights reserved.