ethyl 2-(2-naphthylmethyl)-3-oxobutanoate | 111200-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 2-(2-naphthylmethyl)-3-oxobutanoate
• 英文别名: α-acetyl-3-(2-naphthalenyl)propionic acid ethyl ester；ethyl 2-acetyl-3-(2-naphthyl)propanoate；ethyl-2-(naphthalen-2-ylmethyl)-3-oxobutanoate；2-[2]naphthylmethyl-acetoacetic acid ethyl ester；ethyl-α-(2-naphthalenylmethyl) acetoacetate；2-[2]Naphthylmethyl-acetessigsaeure-aethylester；2-(2-ethoxycarbonyl-3-oxobutyl)naphthalene；ethyl 2-(naphthalen-2-ylmethyl)-3-oxobutanoate
• CAS: 111200-27-2
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: OPXDXPYAFYVPKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  ethyl 2-(2-naphthylmethyl)-3-oxobutanoate 在 盐酸 、 sodium hydroxide 作用下， 生成 3-(naphthalen-2-yl)-1H-indole
  参考文献：
  名称：

  Sempronj, Gazzetta Chimica Italiana, 1938, vol. 68, p. 263,268

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 2-(氯甲基)萘 在 乙醇 、 sodium ethanolate 作用下， 生成 ethyl 2-(2-naphthylmethyl)-3-oxobutanoate
  参考文献：
  名称：

  Sempronj, Gazzetta Chimica Italiana, 1938, vol. 68, p. 263,268

  摘要：

  DOI：

文献信息

• Biocatalytic dynamic kinetic reductive resolution with ketoreductase from <i>Klebsiella pneumoniae</i>: the asymmetric synthesis of functionalized tetrahydropyrans
  作者：Rasmita Barik、Joydev Halder、Samik Nanda

  DOI：10.1039/c9ob01681c

  日期：——

  substituted-β-ketoesters to the corresponding β-hydroxy esters with excellent yields and stereoselectivities (ee and de >99 %). The reactions described herein followed a biocatalytic dynamic kinetic reductive resolution (DKRR) pathway, which is reported for the first time with such substrates. It was found that the enzyme system can accept substituted mono-aryl rings with different electronic natures

  来自肺炎克雷伯菌的生长细胞的酮还原酶（NBRC 3319）是一种高效的试剂，可将外消旋的α-苄基/肉桂基取代的β-酮酸酯转化为相应的β-羟基酯，并具有出色的收率和立体选择性（ee和de> 99％）。本文所述的反应遵循生物催化动态动力学还原拆分（DKRR）途径，首次报道了这种底物。发现该酶系统可以接受具有不同电子性质的取代的单芳基环。另外，它还在母体β-酮酸酯的α-位接受取代的萘基环和杂芳基环。然后将合成的对映体纯β-羟基酯合成为有价值的四氢吡喃结构单元。
• Inner-assembly singlet energy transfer in naphthalene–anthracene system linked by 2-ureido-4{1H}-pyrimidinone binding module
  作者：Chun-Chang Zhao、Qing-Xiao Tong、Zhan-Ting Li、Li-Zhu Wu、Li-Ping Zhang、Chen-Ho Tung

  DOI：10.1016/j.tetlet.2004.06.138

  日期：2004.8

  anthracene–anthracene, and naphthalene–anthracene assemblies 1.1, 2.2, and 1.2 linked by 2-ureido-41H}-pyrimidinone binding module were synthesized. Fluorescence quenching and lifetime measurements demonstrate that the inner-assembly singlet energy transfer from naphthalene to anthracene in 1.2 occurs with the efficiency of ca. 89% and rate constant of ca. 9.8 × 108 s−1. Föster energy transfer mechanism operates

  萘-萘，蒽-蒽和萘-蒽组件1。1，2。2和1。2由2-脲基-4-联1 ħ } -嘧啶酮结合模块合成的。荧光猝灭和寿命测量表明，内部组装单重态能量在1中从萘转移到蒽。2的发生效率约为。约89％的速率常数。9.8×10 8  s -1。福斯特能量传输机制在此能量传输过程中运行。
• 4-arylmethyl-5-alkyl-3H-pyrazol-3-ones and hypoglycemic use
  申请人：American Home Products Corporation

  公开号：US05183825A1

  公开（公告）日：1993-02-02

  The compounds of the formula: ##STR1## in which the dotted lines represent optional unsaturation when X is CR.sup.5, Y is CR.sup.6 or X or Y are N; R.sup.1 is hydrogen, alkyl, aryl or arylalkyl; R.sup.2 is hydrogen, alkyl, aryl or arylalkyl; R.sup.3 is alkyl, perfluoromethyl or alkoxy; R.sup.4 is halogen, alkyl or alkoxy; X is CR.sup.5, O, S or N, in which R.sup.5 is hydrogen, halogen, alkyl, or alkoxy; Y is CR.sup.6, O, S or N, in which R.sup.6 is hydrogen, halogen, alkyl or alkoxy; n is one of the integers 0, 1 or 2; m is one of the integers 0, 1, 2 or 3; or a pharmaceutically acceptable salt thereof, are useful hypoglycemic agents in the treatment of non-insulin dependent diabetes mellitus.

  该化合物的化学式为：##STR1## 其中虚线代表当X为CR.sup.5时可选的不饱和度，Y为CR.sup.6或X或Y为N；R.sup.1为氢、烷基、芳基或芳基烷基；R.sup.2为氢、烷基、芳基或芳基烷基；R.sup.3为烷基、全氟甲基或烷氧基；R.sup.4为卤素、烷基或烷氧基；X为CR.sup.5、O、S或N，其中R.sup.5为氢、卤素、烷基或烷氧基；Y为CR.sup.6、O、S或N，其中R.sup.6为氢、卤素、烷基或烷氧基；n为0、1或2中的一个整数；m为0、1、2或3中的一个整数；或其药用可接受的盐，在治疗非胰岛素依赖性糖尿病中是有用的降糖药物。
• Optically active naphthalene derivative, process for preparation
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05422038A1

  公开（公告）日：1995-06-06

  Optically active naphthalene derivatives including optically active naphthylcarboxylic acid derivative, hydroxynaphthalene derivative, alkoxynaphthylalkanol derivative and alkylnaphthylalkanol derivative have the following structural formula: ##STR1## wherein R.sup.1 denotes an alkyl group of 3-20 carbon atoms, R.sup.2 denotes an alkyl group of 1-20 carbon atoms optionally substituted with halogen atom(s) or an alkoxyalkyl group of 2-20 carbon atoms optionally substituted with halogen atom(s), X denotes --COO-- or --OCO--, k, l and m denotes 0 or 1 respectively, n denotes an integer of 0-6, p denotes 0 or 1, and the asterisk indicates an asymmetric carbon atom, with the proviso that when k is 0, l and m are not 1 at the same time, and when k is 1, m is 1, and when n is 0 and m is 1, X is --COO--. These optically active naphthalene derivatives are useful as a ferroelectric liquid crystal materials or its component having a sufficient spontaneous polarization and by which a high speed response is possible and which further exhibits a ferroelectric liquid crystal phase in a temperature region around room temperature. Processes for the preparation of the optically active derivatives are also disclosed.

  具有以下结构式的光学活性萘衍生物包括光学活性萘基羧酸衍生物、羟基萘衍生物、烷氧基萘基醇衍生物和烷基萘基醇衍生物：其中R.sup.1表示3-20个碳原子的烷基基团，R.sup.2表示1-20个碳原子的烷基基团，可选地取代卤原子或2-20个碳原子的烷氧基烷基基团，可选地取代卤原子，X表示--COO--或--OCO--，k、l和m分别表示0或1，n表示0-6的整数，p表示0或1，星号表示不对称碳原子，条件是当k为0时，l和m不能同时为1，当k为1时，m为1，当n为0且m为1时，X为--COO--。这些光学活性萘衍生物可用作具有足够自发极化的铁电液晶材料或其组分，从而可能实现高速响应，并且在接近室温的温度区域内显示铁电液晶相。还公开了制备这些光学活性衍生物的方法。
• NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF
  申请人：HYOGO COLLEGE OF MEDICINE

  公开号：US20150011600A1

  公开（公告）日：2015-01-08

  The present invention aims to provide a compound capable of inhibiting PCA-1 that can be a target for a novel treatment method of various diseases, and pharmaceutical use of the compound. A compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof.

  本发明旨在提供一种能够抑制PCA-1的化合物，该化合物可作为各种疾病的新型治疗方法的靶点，并且可用于制药的该化合物。一种由以下化学式（I）表示的化合物：其中每个符号如描述中定义的，或其药用盐。