2,4-dinitrophenyl bromoacetate | 135264-58-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2,4-dinitrophenyl bromoacetate
• 英文别名: Bromo-acetic acid 2,4-dinitro-phenyl ester；(2,4-dinitrophenyl) 2-bromoacetate
• CAS: 135264-58-3
• 化学式: C₈H₅BrN₂O₆
• 分子量: 305.041
• InChiKey: RWWIPXIMYUBOGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(5-硝基-2-呋喃基)-1,3,4-噁二唑-2-硫醇 、 2,4-dinitrophenyl bromoacetate 在 碳酸氢钠 作用下， 生成 2,4-dinitrophenyl-α-<5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-ylthio>acetate
  参考文献：
  名称：

  抗结核药。V：α-[5-（5-硝基-2-呋喃基）-1,3,4-恶二唑-2-基硫基]乙酰肼及相关化合物

  摘要：

  α-[5-（5-硝基-2-呋喃基）-1,3,4-恶二唑-2-基硫基]乙酰基吡嗪，α-[5-（5-硝基-2-呋喃基）-1,3,4 -恶二唑-2-基硫基]乙酰胺，δ-烯丙基-1-[[（5-（5-硝基-2-呋喃基）-1,3,4-恶二唑-2-基硫基]乙氧基]硫代氨基脲和其他相关化合物已合成用于结核分枝杆菌测试的药物。

  DOI：

  10.1002/jps.2600800610
• 作为产物：
  描述：

  2,4-二硝基酚 、 溴乙酰溴 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以78%的产率得到2,4-dinitrophenyl bromoacetate
  参考文献：
  名称：

  Synthesis and screening of peptoid arrays on cellulose membranes

  摘要：

  Rapid synthesis and screening of compound libraries enables the accelerated identification of novel protein ligands in order to support processes like analysis of protein interactions, drug target discovery or lead structure discovery. SPOT synthesis-a well established method for the rapid preparation of peptide arrays-has recently been extended to the field of nonpeptides. In this contribution we report on the systematic evaluation of the SPOT technique for the assembly of N-alkylglycine (peptoid) library arrays. In the course of this investigation bromoacetic acid 2,4-dinitrophenylester (1a) was identified to be the most suited agent for bromoacetylation in terms of yield and N-selectivity enabling straightforward submonomer synthesis on hydroxy-group rich cellulose membranes. The potential of this method for the rapid identification of novel nonpeptidic protein ligands was demonstrated by synthesis and screening of a library consisting of 8000 peptoids and peptomers (i.e. their hybrids with a-substituted amino acids) allowing the identification of micromolar ligands for the monoclonal antibody Tab-2. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.044

文献信息

• 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS
  申请人：Gibson Christoph

  公开号：US20100234344A1

  公开（公告）日：2010-09-16

  The present invention is related to compound of the formula (I): or a pharmacologically acceptable salt, solvate, or hydrate thereof, wherein A is a 6-membered heteroaryl having from 1 to 3 heteroatoms, each independently selected from N or O and the other substituents are defined as in the claims.

  本发明涉及公式(I)的化合物或其药理学上可接受的盐、溶剂合物或水合物，其中A是一种具有1至3个杂原子的6元杂环芳基，每个杂原子独立地选自N或O，其它取代基如权利要求所定义。
• 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators
  申请人：Gibson Christoph

  公开号：US08410134B2

  公开（公告）日：2013-04-02

  The present invention is related to compound of the formula (I): or a pharmacologically acceptable salt, solvate, or hydrate thereof, wherein A is a 6-membered heteroaryl having from 1 to 3 heteroatoms, each independently selected from N or O and the other substituents are defined as in the claims.

  本发明涉及公式（I）的化合物或其药学上可接受的盐、溶剂或水合物，其中A是具有1至3个杂原子的6元杂环芳基，每个杂原子独立选择自N或O，其他取代基如权利要求所定义。
• WO2008/116620
  申请人：——

  公开号：——

  公开（公告）日：——
• A modular approach to the SPOT synthesis of 1,3,5-trisubstituted hydantoins on cellulose membranes
  作者：Niklas Heine、Lothar Germeroth、Jens Schneider-Mergener、Holger Wenschuh

  DOI：10.1016/s0040-4039(00)01960-2

  日期：2001.1

  The SPOT synthesis technique, originally developed for peptide synthesis on cellulose membranes, was successfully adapted for the modular, parallel synthesis of 1,3,5-trisubstituted hydantoins. The synthetic approach presented here is based on a modified sub-monomer peptoid synthesis protocol on cellulose membranes. (C) 2000 Published by Elsevier Science Ltd.
• Microwave-Facilitated SPOT-Synthesis of Antibacterial Dipeptoids
  作者：Anne C. Schneider、Daniel Fritz、Joseph K. Vasquez、Sidonie B. L. Vollrath、Helen E. Blackwell、Stefan Bräse

  DOI：10.1021/acscombsci.7b00096

  日期：2017.12.11

  With microwave irradiation, the submonomer synthesis of dipeptoids on functionalized cellulose can be accelerated with good yields and purity. Optimization provided a library of 96 dipeptoids. From these, 29 compounds were found with an antibacterial activity against MRSA at a concentration of 25 mu M. Large nonpolar residues, such as undecylamine and dehydroabiethylamine, are the key components engendering the observed antibacterial activity of these peptoids.