戊基丙二酸二甲酯 | 39520-21-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 戊基丙二酸二甲酯
• 英文名称: dimethyl pentylmalonate
• 英文别名: methyl 2-acetoxyheptanoate；Pentylmalonsaeure-dimethylester；dimethyl 2-pentylmalonate；n-Amyl-malonsaeure-dimethylester；pentyl-malonic acid dimethyl ester；Dimethyl pentylpropanedioate；dimethyl 2-pentylpropanedioate
• CAS: 39520-21-3
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: QWDKIPDCCCVFSX-UHFFFAOYSA-N

物化性质

• 沸点：
  234.5±8.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

反应信息

• 作为反应物：
  描述：

  戊基丙二酸二甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-正戊丙烷-1,3-二醇
  参考文献：
  名称：

  乙醋杆菌介导的非手性1,3-二醇的氧化脱对称法合成对映体富集的2-羟甲基链烷酸

  摘要：

  非手性2-烷基-1,3-二醇的立体选择性去对称化是通过醋乙酸醋杆菌MIM 2000/28氧化两个对位伯醇部分之一进行的，以提供相应的手性2-羟甲基链烷酸（最高94 ％ee）。该过程在pH，温度和压力中等的水性介质中进行，有助于扩大有机化学家可用于开发可持续生产工艺的酶促氧化反应的范围。

  DOI：

  10.1002/cctc.201601051
• 作为产物：
  描述：

  1-溴戊烷 在 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 戊基丙二酸二甲酯
  参考文献：
  名称：

  Preparation of phosphinodipeptide analogs as building blocks for pseudopeptides synthesis

  摘要：

  A simple and effective preparation of phosphinodipeptides, in good overall yields, has been developed, This one pot procedure, allowing the variation of the substituents in alpha and/or beta position to the phosphorus atom and also in alpha position to the nitrogen atom, consists in the addition of alkyl hypophosphites to imines. followed by Michael-addition on acrylates. To show the value of phosphinodipeptides analogs I as synthetic intermediates, selective deprotections of the three functional groups are described. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01238-4

文献信息

• Dealkoxycarbonylations of Gem Diesters and β-Ketoesters via an Enzyme Catalyzed Hydrolysis
  作者：M. Ahmar、R. Bolch、M. Bortolussi

  DOI：10.1080/00397919108019796

  日期：1991.4

  Abstract A new method for the dealkoxycarbonylation of malonate esters and β-ketoesters, involving an enzyme catalyzed hydrolysis followed by a high temperature Kugelroher distillation, is described.

  摘要 描述了一种丙二酸酯和 β-酮酯脱烷氧基羰基化的新方法，包括酶催化水解和高温 Kugelroher 蒸馏。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• NOVEL AMPHIPHILIC COMPOUND HAVING DENDRONIC HYDROPHOBIC GROUP AND APPLICATION THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20200247836A1

  公开（公告）日：2020-08-06

  The present invention relates to an amphiphilic compound having a dendronic hydrophobic group, a method for preparing the same, and a method for extraction, solubilization, stabilization, or crystallization of a membrane protein by using the same. The use of the compound according to the present invention leads to an excellent membrane protein solubilization effect and a stable storage of a membrane protein in an aqueous solution for a long time, and thus can be utilized for functional analysis and structural analysis of the membrane protein. Especially, the amphiphilic compound having a dendronic hydrophobic group showed very remarkable characteristics in the visualization of protein composites through an electronic microscope. The membrane protein structural and functional analysis is one of the fields of greatest interest in current biology and chemistry, and more than half of the new drugs that are currently being developed are targeted at membrane proteins, and thus the amphiphilic compound of the present invention can be applied to membrane protein structure studies closely related to the development of new drugs.

  本发明涉及具有树状疏水基团的两性分子化合物，以及制备该化合物的方法，以及利用该化合物进行膜蛋白的提取、溶解、稳定化或结晶化的方法。根据本发明的化合物的使用导致出色的膜蛋白溶解效果，并使膜蛋白在水溶液中稳定存储较长时间，因此可用于膜蛋白的功能分析和结构分析。特别是，具有树状疏水基团的两性分子化合物在电子显微镜下显示出非常显著的蛋白质复合物可视化特征。膜蛋白的结构和功能分析是当前生物学和化学领域最感兴趣的领域之一，目前正在开发的新药物中超过一半是针对膜蛋白的，因此本发明的两性分子化合物可应用于与新药物开发密切相关的膜蛋白结构研究。
• Palladium-catalyzed regioselective reactions of α-acetoxy-β,γ-unsaturated nitriles and γ-acetoxy-α,β-unsaturated ester with nucleophiles
  作者：Jiro Tsuji、Hiroaki Ueno、Yuichi Kobayashi、Hiroshi Okumoto

  DOI：10.1016/s0040-4039(01)90523-4

  日期：1981.1

  temperature with malonates and acetoacetates in the presence of palladium-phosphine complexes as a catalyst to give γ-substituted α,β-unsaturated nitriles selectively. Also γ-acetoxy-α,β-unsaturated ester was attacked at y-position by malonate.

  α-乙酰氧基-β，γ-不饱和腈在室温下与丙二酸酯和乙酰乙酸酯在钯-膦配合物作为催化剂存在下反应，选择性地生成γ-取代的α，β-不饱和腈。γ-乙酰氧基-α，β-不饱和酯也被丙二酸酯在y-位攻击。
• NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF
  申请人：SU Zhengyu

  公开号：US20160039879A1

  公开（公告）日：2016-02-11

  The present invention relates to a compound of the Formula (I)): or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification; a pharmaceutical composition comprising the same, a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, and hair loss.

  本发明涉及公式（I）的化合物或其药学上可接受的盐，其中符号如规范中定义；包括该化合物的制药组合物，一种用于治疗或预防病毒感染、炎症、干眼症、中枢神经系统疾病、心血管疾病、癌症、肥胖症、糖尿病、肌肉萎缩症和脱发的方法。