2-hydroxymethyl-hexanoic acid ethyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-hydroxymethyl-hexanoic acid ethyl ester
• 英文别名: α-Oxy-hexan-β-carbonsaeure-aethylester；α-Butyl-hydracrylsaeure-aethylester；2-Hydroxymethyl-hexansaeure-aethylester；2-Methylol-hexansaeure-(1)-aethylester；Ethyl 2-(hydroxymethyl)hexanoate
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: BONSVTJGRSKZOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-hydroxymethyl-hexanoic acid ethyl ester 在 磷酸酐 、 sodium hydroxide 、 三氯化磷 、 苯 作用下， 生成 2-butylacryloyl chloride
  参考文献：
  名称：

  Blaise; Luttringer, Bulletin de la Societe Chimique de France, 1905, vol. <3> 33, p. 769

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 在 锌 、 苯 作用下， 生成 2-hydroxymethyl-hexanoic acid ethyl ester
  参考文献：
  名称：

  Blaise; Luttringer, Bulletin de la Societe Chimique de France, 1905, vol. <3>33, p. 650

  摘要：

  DOI：

文献信息

• Process for producing optically active 3-hydroxypropionic ester derivative
  申请人：Taoka Naoaki

  公开号：US20060166342A1

  公开（公告）日：2006-07-27

  The present invention is to provide a process for simply producing an optically active 3-hydroxypropionic ester derivative useful as a medicament intermediate from an inexpensive material. More specifically, the present invention is directed to a process for producing an optically active 3-hydroxypropionic ester derivative comprising reacting an acetic ester derivative available at low cost with abase and a formic ester, thereby converting the acetic ester derivative into a 2-formylacetic ester derivative, and thereafter, stereospecifically reducing the formyl group of the derivative by use of an enzymatic source capable of stereoselectively reducing the formyl group of the derivative.

  本发明提供了一种简单制备光学活性的3-羟基丙酸酯衍生物，该衍生物可用作药物中间体，从廉价原料中制备。更具体地，本发明涉及一种制备光学活性的3-羟基丙酸酯衍生物的方法，包括将一种低成本的乙酸酯衍生物与碱和甲酸酯反应，从而将乙酸酯衍生物转化为2-甲酰乙酸酯衍生物，然后使用能够立体选择性还原该衍生物的酶源，立体特异性地还原衍生物的甲酰基。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE
  申请人：TAOKA Naoaki

  公开号：US20100016627A1

  公开（公告）日：2010-01-21

  A 2-formylacetic ester derivative represented by the general formula (5) is provided: where R 4 represents an alkyl group having 2 to 6 carbon atoms; R 5 represents an alkyl group having 1 to 10 carbon atoms; and X represents H, Li, Na or K.

  提供一种由一般式(5)表示的2-甲酰基乙酸酯衍生物：其中R4代表具有2至6个碳原子的烷基；R5代表具有1至10个碳原子的烷基；X代表H、Li、Na或K。
• HETEROPOLYCYCLIC COMPOUND AND DYE
  申请人：Kochi University

  公开号：EP1717276B1

  公开（公告）日：2010-12-29
• Heteropolycyclic compound and dye
  申请人：Yoshida Katsuhira

  公开号：US20070185338A1

  公开（公告）日：2007-08-09

  The present invention provides heteropolycyclic compounds represented by General Formulae (1) and (2): wherein R 1 is a straight- or branched-chain C 1 -C 10 alkyl group or the like; R 2 and R 3 are the same or different and are each a straight- or branched-chain C 1 -C 10 alkyl group or the like; R 4 and R 5 are each a hydrogen atom; X is —OH or the like; X′ is a straight- or branched-chain C 1 -C 10 alkyl group or the like; and Z is —O— or the like. The heteropolycyclic compounds of the present invention have appropriate optical absorption wavelengths and fluorescence wavelengths and a high luminescence intensity, and can be advantageously used in various applications as colorants that have excellent performance in terms of heat resistance, light resistance, solubility, dispersibility in resist materials, solid luminescence, etc.
• US7408072B2
  申请人：——

  公开号：US7408072B2

  公开（公告）日：2008-08-05