acetic acid 2,6-bis(bromomethyl)phenyl ester | 60041-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: acetic acid 2,6-bis(bromomethyl)phenyl ester
• 英文别名: acetic acid 2,6-bis-bromomethylphenyl ester；2,6-bis-(bromomethyl)-phenyl acetate；2,6-bis(bromomethyl)phenyl acetate；2,6-bis(bromomethyl)phenylacetate；2,6-bis(bromomethyl)phenoxy acetate；Essigsaeure-<2,6-bis(brommethyl)phenylester>；[2,6-bis(bromomethyl)phenyl] acetate
• CAS: 60041-69-2
• 化学式: C₁₀H₁₀Br₂O₂
• 分子量: 321.996
• InChiKey: WDQYOXWBUHIGIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  acetic acid 2,6-bis(bromomethyl)phenyl ester 在 sodium hydroxide 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 12.0h， 生成 N-(2-hydroxybenzyl)-N,N-bis(2-pyridylmethyl)amine
  参考文献：
  名称：

  An Azophenol-based Chromogenic Pyrophosphate Sensor in Water

  摘要：

  A new azophenol-based colorimetric sensor shows a selective detection for pyrophosphate in aqueous solution.

  DOI：

  10.1021/ja034689u
• 作为产物：
  描述：

  2,6-二甲苯基乙酸酯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以45.6%的产率得到acetic acid 2,6-bis(bromomethyl)phenyl ester
  参考文献：
  名称：

  The Syntheses of Ortho-, Meta-, and Paracyclophane-Type Thiacrown Compounds and Their Characteristics as Extractive-Spectrophotometric Reagents for ClassbMetals–Silver and Copper

  摘要：

  合成了带有 4-(4-硝基苯基偶氮)苯酚作为发色基团的邻环芳烷型、间环芳烷型和对环芳烷型硫杂冠化合物，及其作为 b 类金属（由银等软路易斯酸组成）的萃取分光光度试剂的特性和铜（I）进行了检查。使用所有三种试剂，尤其是使用间环芬型试剂，可以将银和铜 (I) 很好地萃取到氯仿中。银和铜（I）与邻环芳烷型试剂的络合物的最大吸收是三种试剂中最长的波长。邻环芳烷型试剂适用于铜(I)的萃取和分光光度测量，间环芳烷型试剂适用于银的萃取和分光光度测量。研究了这三种试剂对铜(II)的萃取行为，以了解羟基是否参与了金属硫杂冠络合物的形成。

  DOI：

  10.1246/bcsj.62.1797

文献信息

• A Double Arene Hydroxylation Mediated by Dicopper(II)−Hydroperoxide Species
  作者：Giuseppe Battaini、Enrico Monzani、Angelo Perotti、Cristina Para、Luigi Casella、Laura Santagostini、Michele Gullotti、Renée Dillinger、Christian Näther、Felix Tuczek

  DOI：10.1021/ja0280776

  日期：2003.4.1

  isolated by decomposition of the product complex. The incorporation of two oxygen atoms from H(2)O(2) into the ligand was confirmed by isotope labeling studies using H(2)(18)O(2). The pathway of the unusual double hydroxylation was investigated by preparing the two isomeric phenolic derivatives of L, namely 3,5-bis([bis[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl)phenol (6) and 2,6-bis([bis[2-(1-

  二铜(II)配合物[Cu(2)(L)](4+) (L = alpha,alpha'-bis[bis[2-(1'-methyl-2'-benzimidazolyl)ethyl]amino]-m -二甲苯）与过氧化氢反应生成二铜（II）-氢醌络合物，其中配体的二甲苯基环在环位置 2 和 5 处发生了双羟基化反应。二羟基化配体 2,6-双（[双[ 2-(3-甲基-1H-苯并咪唑-2-基)乙基]氨基]甲基)苯-1,4-二醇通过产物复合物的分解分离。使用 H(2)(18)O(2) 同位素标记研究证实了两个氧原子从 H(2)O(2) 加入配体。通过制备L的两种异构酚类衍生物3,5-双([双[2-(1-甲基-1H-苯并咪唑-2-基)乙基]氨基]甲基)研究了不寻常的双羟基化途径苯酚(6)和2，6-双([双[2-(1-甲基-1H-苯并咪唑-2-基)乙基]氨基]甲基)苯酚(7)，在L被羟基化的两个位置之一带有羟基。用新配体
• Novel dinuclear metal complex and pyrophosphate assay using the same
  申请人：Hong Jong-In

  公开号：US20050119497A1

  公开（公告）日：2005-06-02

  A novel coordination complex formed by dinuclear metal complexation is provided. The complex is a dinuclear metal complex of a compound, wherein the compound comprises a conjugation ring system substituted with: a) an electron donating group selected from —OH, —SH and —NH 2 ; b) an indicating group selected from a chromogenic group, a fluorescent group and an electrochemical group; and c) two binding auxiliary groups, in combination with the electron donating group each of which being coordinated with the metal to provide an anion bonding site, wherein as the complex binds to a anion, the coordination of the electron donating group with the metal is weakened and electron donation of the electron donating group to the conjugation ring system is reinforced such that the reinforced electron donation by the electron donating group is transferred through the conjugation ring system to the indicating group to produce an indicating signal concomitant with the change of its electronic density. The coordination complex shows high sensitivity and high selectivity for pyrophosphate over other anions in an aqueous solvent over a wide pH range. Therefore, the complex is useful for pyrophosphate assay as a pyrophosphate sensor.

  提供了一种由双核金属络合形成的新型配位化合物。该配合物是一种化合物的双核金属络合物，其中该化合物包括一个带有以下取代基的共轭环系统：a) 从—OH、—SH和—NH2中选择的电子给体基团；b) 从显色基团、荧光基团和电化学基团中选择的指示基团；以及c) 两个结合辅助基团，与电子给体基团结合在一起，每个结合辅助基团与金属配位以提供一个阴离子结合位点，当该配合物与阴离子结合时，电子给体基团与金属的配位被削弱，电子给体基团向共轭环系统的电子给体作用被加强，从而通过共轭环系统向指示基团传递加强的电子给体作用，产生与其电子密度变化相伴随的指示信号。该配位化合物在广泛的pH范围内对焦磷酸盐的灵敏度和选择性很高，优于其他阴离子在水溶剂中。因此，该复合物作为焦磷酸盐传感器对焦磷酸盐的检测是有用的。
• Bis(crown ether) Dyes Incorporating Azophenol Structure
  作者：Sadaya Kitazawa、Keiichi Kimura、Toshiyuki Shono

  DOI：10.1246/bcsj.56.3253

  日期：1983.11

  types of bis(crown ether) dyes bearing one or two azophenol units were synthesized, which may be expected to show different cation-complexing properties from the corresponding monocyclic crown ether dyes. The extraction of alkali and alkaline-earth metal salts with the crown ether dyes suggested that some cooperative action of the two adjacent crown ether moieties of the bis(crown ether)s occurs on

  合成了三种类型的带有一个或两个偶氮酚单元的双（冠醚）染料，它们可能会显示出与相应的单环冠醚染料不同的阳离子络合性能。用冠醚染料提取碱金属盐和碱土金属盐表明，双（冠醚）的两个相邻冠醚部分在络合金属阳离子上发生了一些协同作用，尽管双（冠醚）效应是不是很了不起。
• Selective anion sensing based on a dual-chromophore approach
  作者：Dong Hoon Lee、Ho Yong Lee、Kwan Hee Lee、Jong-In Hong

  DOI：10.1039/b102187g

  日期：——

  A new anion sensor 1 with an azophenol and p-nitrophenyl moieties as chromophores allows for easy colorimetric differentiation of F−, H2PO4− and AcO− with similar basicity.

  新型阴离子传感器 1 以偶氮苯酚和对硝基苯基为发色团，可以轻松比色区分碱度相似的 F-、H2PO4- 和 AcO-。
• The Syntheses of Ortho-, Meta-, and Paracyclophane-Type Thiacrown Compounds and Their Characteristics as Extractive-Spectrophotometric Reagents for Class<i>b</i>Metals–Silver and Copper
  作者：Motoho Muroi、Teruo Kamiki、Eiichi Sekido

  DOI：10.1246/bcsj.62.1797

  日期：1989.6

  Ortho-, meta-, and paracyclophane-type thiacrown compounds bearing 4-(4-nitrophenylazo)phenol as a chromogenic group were synthesized, and their characteristics as extractive-spectrophotometric reagents for the class b metals, consisting of soft Lewis acids such as silver and copper(I), were examined. Silver and copper(I) were well extracted into chloroform with all of three reagents, though especially with the metacyclophane-type reagent. The absorption maxima of silver and copper(I) complexes with the orthocyclophane-type reagents are at the longest wavelengths among the three reagents. The orthocyclophane-type reagent is adequate for the extraction and spectrophotometric measurement of copper(I), and the metacyclophane-type reagent is suitable for that of silver. The extraction behavior of copper(II) with these three reagents has been studied in order to know if the hydroxyl group participates in the formation of the metal–thiacrown complexes.

  合成了带有 4-(4-硝基苯基偶氮)苯酚作为发色基团的邻环芳烷型、间环芳烷型和对环芳烷型硫杂冠化合物，及其作为 b 类金属（由银等软路易斯酸组成）的萃取分光光度试剂的特性和铜（I）进行了检查。使用所有三种试剂，尤其是使用间环芬型试剂，可以将银和铜 (I) 很好地萃取到氯仿中。银和铜（I）与邻环芳烷型试剂的络合物的最大吸收是三种试剂中最长的波长。邻环芳烷型试剂适用于铜(I)的萃取和分光光度测量，间环芳烷型试剂适用于银的萃取和分光光度测量。研究了这三种试剂对铜(II)的萃取行为，以了解羟基是否参与了金属硫杂冠络合物的形成。