4-methyl-3-oxopentanoic acid benzyl ester | 94250-56-3

• 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: 4-methyl-3-oxopentanoic acid benzyl ester
• 英文别名: benzyl 4-methyl-3-oxopentanoate；4-methyl-3-oxo-pentanoic acid benzyl ester
• CAS: 94250-56-3
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: WFJAQDNQCDHVBK-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C(Press: 1.75 Torr)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  4-methyl-3-oxopentanoic acid benzyl ester 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以70%的产率得到2-benzylidene-4-methyl-3-oxo-pentanoic acid benzyl ester
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE AS HMG-CO INHIBITORS
  [FR] DERIVES PYRROLIQUES SUBSTITUES

  摘要：

  公开号：

  WO2004106299A3
• 作为产物：
  描述：

  3-甲基-2-丁酮 在 对甲苯磺酸 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 29.0h， 生成 4-methyl-3-oxopentanoic acid benzyl ester
  参考文献：
  名称：

  WO2006/110918

  摘要：

  公开号：

文献信息

• Substituted pyrrole derivatives
  申请人：——

  公开号：US20040102511A1

  公开（公告）日：2004-05-27

  The present invention relates to substituted pyrrole derivatives, which can be used as 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors. Compounds disclosed herein can function as cholesterol lowering agents and can be used for the treatment of cholesterol-related diseases and related symptoms. Processes for the preparation of disclosed compounds are provided, as well as, pharmaceutical compositions containing the disclosed compounds, and methods of treating cholesterol-related diseases and related symptoms.

  本发明涉及取代吡咯衍生物，可用作3-羟基-3-甲基戊二酸辅酶A（HMG-CoA）还原酶抑制剂。本文披露的化合物可作为降胆固醇剂，并可用于治疗胆固醇相关疾病和相关症状。提供了制备披露化合物的过程，以及包含披露化合物的药物组合物，以及治疗胆固醇相关疾病和相关症状的方法。
• Microwave-Assisted Solution-Phase Synthesis of 1,4,5-Trisubstituted Pyrazoles
  作者：Giampaolo Giacomelli、Andrea Porcheddu、Margherita Salaris、Maurizio Taddei

  DOI：10.1002/ejoc.200390091

  日期：2003.2

  A small parallel library of 1,4,5-trisubstituted pyrazoles was prepared in solution using a three-step procedure starting from Meldrum acid. The Meldrum acid was acylated with different acyl chlorides and the products opened with different alcohols and amines to give substituted β-keto esters and β-keto amines. Further reaction with N,N-dimethylformamide dimethylacetal and the final cyclisation were

  使用三步法从 Meldrum 酸开始，在溶液中制备了一个小型的 1,4,5-三取代吡唑平行库。Meldrum酸用不同的酰氯酰化，产物用不同的醇和胺打开，得到取代的β-酮酯和β-酮胺。与 N,N-二甲基甲酰胺二甲基缩醛的进一步反应和最终的环化在微波辐射下有效地进行。在第一步中仅使用清除剂树脂，而在其他两个步骤中使用微波可以使起始材料完全转化。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)
• [EN] SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS<br/>[FR] DERIVES DE PYRROLE SUBSTITUES UTILES COMME INHIBITEURS DE HMG-COA REDUCTASE
  申请人：RANBAXY LAB LTD

  公开号：WO2004105752A1

  公开（公告）日：2004-12-09

  The present invention relates to substituted pyrrole derivatives of Formula (I), wherein (Y), with the proviso that one of R2, R4 and R5 is a heterocycle and with the further provision that if R2 is not a heterocycle then either R4 or R5 alone is not unsubstituted pyridyl, which can be used as 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors. Compounds disclosed herein can function as cholesterol lowering agents and can be used for the treatment of cholesterol-related diseases and related symptoms. Processes for the preparation of disclosed compounds are provided, as well as pharmaceutical compositions containing the disclosed compounds, and methods of treating cholesterol-related diseases and related symptoms.

  本发明涉及式（I）的取代吡咯衍生物，其中（Y），条件是R2、R4和R5中的一个是杂环，并且进一步规定如果R2不是杂环，则R4或R5中的任一者不是未取代的吡啶基，这些衍生物可用作3-羟基-3-甲基戊二酰辅酶A（HMG-CoA）还原酶抑制剂。本文披露的化合物可以作为降低胆固醇的药剂，并可用于治疗与胆固醇相关的疾病及相关症状。提供了用于制备披露的化合物的方法，以及含有披露的化合物的药物组合物和治疗与胆固醇相关的疾病及相关症状的方法。
• Substituted 6-phenylnicotinic acids and their use
  申请人：Baerfacker Lars

  公开号：US20100234432A1

  公开（公告）日：2010-09-16

  The present application relates to novel substituted 6-phenylnicotinic acid derivatives, to processes for their preparation, to their use for the treatment and/or prophylaxis of diseases and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, preferably for the treatment and/or prophylaxis of cardiovascular disorders, in particular dyslipidaemias, arteriosclerosis and heart failure.

  本申请涉及新颖的取代6-苯基烟酸衍生物，其制备方法，其用于治疗和/或预防疾病的用途以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病，特别是血脂异常、动脉硬化和心力衰竭的用途。
• Stereocontrolled synthesis of rosuvastatin calcium via iodine chloride-induced intramolecular cyclization
  作者：Fangjun Xiong、Haifeng Wang、Lingjie Yan、Sheng Han、Yuan Tao、Yan Wu、Fener Chen

  DOI：10.1039/c5ob02245b

  日期：——

  A novel, stereoselective approach towards rosuvastatin calcium from the known (S)-homoallylic alcohol has been developed. The synthesis is highlighted by a regio- and stereocontrolled ICl-induced intramolecular cyclization of chiral homoallylic carbonate to deliver the C6-formyl statin side chain with a syn-1,3-diol moiety. An improved synthesis of the rosuvastatin pyrimidine core moiety is also included

  已经开发出一种从已知的（S）-均烯丙基醇制得的瑞舒伐他汀钙的新型立体选择性方法。该合成通过手性均烯丙基碳酸酯的区域和立体控制的ICI诱导的分子内环化来突出，以递送具有顺-1，3-二醇部分的C 6-甲酰基他汀类侧链。罗苏伐他汀嘧啶核心部分的改进的合成也包括在内。此外，该方法学可用于他汀类药物的结构变体的不对称合成，例如匹伐他汀钙和阿托伐他汀钙及其相关类似物。