isopropyl 4-methyl-3-oxopentanoate | 575838-12-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: isopropyl 4-methyl-3-oxopentanoate
• 英文别名: Propan-2-yl 4-methyl-3-oxopentanoate
• CAS: 575838-12-9
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: RSNLWQKJOHYEAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isopropyl 4-methyl-3-oxopentanoate 、 间硝基苯甲醛 在 sodium hydride 、 ytterbium(III) triflate 作用下， 以 四氢呋喃 、 甲苯 、 mineral oil 为溶剂， 反应 5.0h， 生成 1,5-diisopropyl 4-isopropyl-6-(3-nitrophenyl)-2-oxo-2,3-dihydropyrimidine-1,5(6H)-dicarboxylate
  参考文献：
  名称：

  Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics

  摘要：

  The L-type calcium channel (LTCC) Ca(v)1.3 is regarded as a new potential therapeutic target for Parkinson's disease. Calcium influx through Ca(v)1.3 LTCC during autonomous pacemaking in adult dopaminergic neurons of the substantia nigra pars compacta is related to the generation of mitochondrial oxidative stress in animal models. Development of a Ca(v)1.3 antagonist selective over Ca(v)1.2 is essential because Ca(v)1.2 pore-forming subunits are the predominant form of LTCCs and are abundant in the central nervous and cardiovascular systems. We have explored 1,4-dihydropyrimidines and 4H-pyrans to identify potent and selective antagonists of Ca(v)1.3 relative to Ca(v)1.2 LTCCs. A library of 36 dihydropyridine (DHP)-mimic 1,4-dihydropyrimidines and 4H-pyrans was synthesized, and promising chiral compounds were resolved. The antagonism studies of Ca(v)1.3 and Ca(v)1.2 LTCCs using DHP mimic compounds showed that dihydropyrimidines and 4H-pyrans are effective antagonists of DHPs for Ca(v)1.3 LTCCs. Some 1,4-dihydropyrimidines are more selective than isradipine for Ca(v)1.3 over Ca(v)1.2, shown here by both calcium flux and patch-clamp electrophysiology experiments, where the ratio of antagonism is around 2-3. These results support the hypothesis that the modified hydrogen bonding donor/acceptors in DHP-mimic dihydropyrimidines and 4H-pyrans can interact differently with DHP binding sites, but, in addition, the data suggest that the binding sites of DHP in Ca(v)1.3 and Ca(v)1.2 LTCCs are very similar. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.054
• 作为产物：
  描述：

  异丁酰醋酸甲酯 、 异丙醇 在 对甲苯磺酸 作用下， 反应 6.0h， 以83%的产率得到isopropyl 4-methyl-3-oxopentanoate
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS
  [FR] COMPOSES ET PROCEDES

  摘要：

  公开号：

  WO2004054986A3

文献信息

• FORMULATIONS OF LIPOPHILIC BIOACTIVE MOLECULES
  申请人：Zumes, LLC

  公开号：US20140039052A1

  公开（公告）日：2014-02-06

  This invention provides aqueous and non-aqueous clear formulations including at least one lipophilic bioactive molecules and an amphiphilic solubilizing agent. Exemplary aqueous formulations include a water-soluble reducing agent, which diminishes or prevents chemical degradation of the lipophilic bioactive molecule. The invention also provides methods of using the formulations of the invention. For example, the invention provides beverages including the formulations of the invention. The invention further provides methods of making the formulations and beverages.

  本发明提供了包括至少一种亲脂性生物活性分子和一种两性溶解剂的水性和非水性透明配方。其中，水性配方包括水溶性还原剂，可减少或防止亲脂性生物活性分子的化学降解。本发明还提供了使用该配方的方法。例如，本发明提供了包括该配方的饮料。本发明还提供了制备该配方和饮料的方法。
• Process for the Preparation of Pyrimidine Compounds
  申请人：Newton Lee

  公开号：US20060052604A1

  公开（公告）日：2006-03-09

  A process for the preparation of a compound of Formula (I) and intermediates useful therein are provided. The process comprises reacting a compound of formula R 1 —CO—CH 2 -E with a compound of formula R 2 —CHX 1 X 2 in the presence of a compound of formula R 3 R 4 N—C(═NH)NH 2 and a catalyst, thereby to form a dihydropyrimidine; and oxidising the dihydropyrimidine to form the compound of Formula ( 1 ). R 1 is H or an alkyl group; R 2 is H, an alkyl or aryl group; R 3 and R 4 are each independently H, alkyl or aryl, or R 3 and R 4 are linked to form, together with the nitrogen to which they are attached to form a 5 to 7 membered heterocyclic ring; E is H, an unsubstituted alkyl group, and aryl group or an electron withdrawing group; and X 1 and X 2 are each independently leaving groups, or X 1 and X 2 together represent ═O.

  提供了制备式（I）化合物及其有用中间体的方法。该方法包括在化合物R1—CO—CH2-E与化合物R2—CHX1X2在化合物R3R4N—C（═NH）NH2和催化剂的存在下反应，从而形成二氢嘧啶；然后氧化二氢嘧啶以形成式（1）化合物。其中，R1为H或烷基；R2为H、烷基或芳基；R3和R4各自独立地为H、烷基或芳基，或R3和R4连接在一起，与它们附着的氮一起形成5至7个成员的杂环环；E为H、未取代的烷基、芳基或电子吸引基团；X1和X2各自独立地为离去基，或X1和X2一起表示═O。
• PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS
  申请人：NEWTON Lee

  公开号：US20090264654A1

  公开（公告）日：2009-10-22

  A process for the preparation of a compound of Formula (1) and intermediates useful therein are provided. The process comprises reacting a compound of formula R 1 —CO—CH 2 -E with a compound of formula R 2 —CHX 1 X 2 in the presence of a compound of formula R 3 R 4 N—C(═NH)NH 2 and a catalyst, thereby to form a dihydropyrimidine; and oxidising the dihydropyrimidine to form the compound of Formula (I). R 1 is H or an alkyl group; R 2 is H, an alkyl or aryl group; R 3 and R 4 are each independently H, alkyl or aryl, or R 3 and R 4 are linked to form, together with the nitrogen to which they are attached to form a 5 to 7 membered heterocyclic ring; E is H, an unsubstituted alkyl group, an aryl group or an electron withdrawing group; and X 1 and X 2 are each independently leaving groups, or X 1 and X 2 together represent ═O.

  提供了一种制备式（1）化合物及其有用中间体的方法。该方法包括在化合物R1—CO—CH2-E和化合物R2—CHX1X2的存在下，与化合物R3R4N—C（═NH）NH2和催化剂反应，从而形成二氢嘧啶；然后氧化二氢嘧啶，形成式（I）化合物。其中，R1为H或烷基；R2为H、烷基或芳基；R3和R4各自独立地为H、烷基或芳基，或R3和R4连在一起，与它们所连接的氮形成5至7成员杂环环；E为H、未取代的烷基、芳基或电子吸引基团；X1和X2各自独立为离去基团，或X1和X2一起代表═O。
• Process for the preparation of pyrimidine compounds
  申请人：AstraZeneca UK Limited

  公开号：US08273878B2

  公开（公告）日：2012-09-25

  A process for the preparation of a compound of Formula (1) and intermediates useful therein are provided. The process comprises reacting a compound of formula R1—CO—CH2-E with a compound of formula R2—CHX1X2 in the presence of a compound of formula R3R4N—C(═NH)NH2 and a catalyst, thereby to form a dihydropyrimidine; and oxidizing the dihydropyrimidine to form the compound of Formula (I). R1 is H or an alkyl group; R2 is H, an alkyl or aryl group; R3 and R4 are each independently H, alkyl or aryl, or R3 and R4 are linked to form, together with the nitrogen to which they are attached to form a 5 to 7 membered heterocyclic ring; E is H, an unsubstituted alkyl group, an aryl group or an electron withdrawing group; and X1 and X2 are each independently leaving groups, or X1 and X2 together represent ═O.

  提供一种制备化合物式（1）及其中间体的方法。该方法包括在化合物R1-CO-CH2-E和化合物R2-CHX1X2的存在下，与化合物R3R4N-C（═NH）NH2和催化剂反应，形成二氢嘧啶；然后氧化二氢嘧啶，形成化合物式（I）。其中，R1为H或烷基；R2为H，烷基或芳基；R3和R4各自独立地为H，烷基或芳基，或R3和R4连接在一起，与它们所附着的氮一起形成5至7成员杂环环；E为H，未取代的烷基，芳基或电子提取基团；X1和X2各自独立地为离去基团，或X1和X2一起表示═O。
• POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE
  申请人：Eliasof Scott

  公开号：US20100247669A1

  公开（公告）日：2010-09-30

  Described herein are polymer-agent conjugates and particles, which can be used, for example, in the treatment of cancer. Also described herein are mixtures, compositions and dosage forms containing the particles, methods of using the particles (e.g., to treat a disorder), kits including the polymer-agent conjugates and particles, methods of making the polymer-agent conjugates and particles, methods of storing the particles and methods of analyzing the particles.

  本文描述了聚合物-药物共轭物和颗粒，可用于癌症治疗等方面。还描述了包含这些颗粒的混合物、组合物和剂型，使用这些颗粒的方法（例如，治疗某种疾病），包括聚合物-药物共轭物和颗粒的工具包，制备聚合物-药物共轭物和颗粒的方法，储存颗粒的方法和分析颗粒的方法。