2,6-二甲氧基苄基溴 | 169610-52-0

• 物质功能分类: 化学试剂 - 有机试剂 - 卤代脂肪烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,6-二甲氧基苄基溴
• 中文别名: 2,6-二甲氧基苄溴
• 英文名称: 2,6-dimethoxybenzyl bromide
• 英文别名: 2-(bromomethyl)-1,3-dimethoxybenzene；2,6-dimethoxyphenylmethyl bromide
• CAS: 169610-52-0
• 化学式: C₉H₁₁BrO₂
• 分子量: 231.089
• InChiKey: GXAOHKNCTGIDHH-UHFFFAOYSA-N

物化性质

• 沸点：
  268.2±25.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-二甲氧基苄基溴 在 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.08h， 生成 4-aminomethyl-3-(2',6'-dimethxoybenzyloxyimino)pyrrolidine dimesylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of gemifloxacin derivatives containing a substituted benzyloxime moiety

  摘要：

  A series of novel gemifloxacin (GMFX) derivatives containing a substituted benzyloxime moiety with remarkable improvement in lipophilicity were synthesized. The target compounds evaluated for their in vitro antibacterial activity against representative strains. Our results reveal that most of the target compounds have considerable potency against all of the tested Gram-positive strains including MRSA and MRSE (MIC: <0.008-8 mu g/mL), although they are generally less active than the references against the Gram-negative strains. In particular, compound 111 (MIC: <0.008-4 mu g/mL) was found to be 8-2048 and 2-128 times more potent than levofloxacin (LVFX) and GMFX against the Gram-positive strains, respectively. Moreover, against MRSA clinical isolates, 111 (MIC90: 1 mu g/mL) is 8-fold more active than GMFX, and 2-fold more active than GMFX and moxifloxacin against MRSE clinical isolates (MIC90: 4 mu g/mL). Crown Copyright (C) 2012 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.010
• 作为产物：
  描述：

  2,6-二甲氧基甲苯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 48.0h， 生成 2,6-二甲氧基苄基溴
  参考文献：
  名称：

  Effect of Methoxy Substituents on the Excited State Properties of Stilbene

  摘要：

  研究人员对苯环正交位置具有甲氧基取代基的二苯乙烯的激发态特性进行了研究，观察到甲氧基取代基抑制荧光量子产率的显著效果取决于甲氧基取代基的数量。反式异构体的荧光量子产率随着甲氧基取代基数目的增加而降低，在苯中反式-1 为 0.54，反式-2 为 0.13，反式-3 为 0.011。

  DOI：

  10.1246/bcsj.81.1500

文献信息

• [EN] MLKL INHIBITORS<br/>[FR] INHIBITEURS MLKL
  申请人：NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING

  公开号：WO2018157800A1

  公开（公告）日：2018-09-07

  Purine derivatives that inhibit cellular necroptosis and/or human MLKL, pharmaceutical compositions thereof, and methods of treating an MLKL-mediated disorder with an effective amount of the compound or composition. Said MLKL-mediated disorder is pathology associated necroptosis, including ischemia-reperfusion damage, neurodegeneration, and inflammatory diseases such as acute pancreatitis, multiple sclerosis, inflammatory bowel disease, and allergic colitis.

  嘌呤衍生物，用于抑制细胞坏死性凋亡和/或人类MLKL；包含该衍生物的药物组合物；以及使用有效量的该化合物或组合物治疗MLKL介导的疾病的方法。所述MLKL介导的疾病是与坏死性凋亡相关的病理学，包括缺血再灌注损伤、神经退行性疾病、以及诸如急性胰腺炎、多发性硬化症、炎症性肠病和过敏性结肠炎等炎症性疾病。
• Copper-Catalysed Allylic Substitution Using 2,8,14,20-Tetrapentylresorcinarenyl-Substituted Imidazolium Salts
  作者：Murat Kaloğlu、Neslihan Şahin、David Sémeril、Eric Brenner、Dominique Matt、İsmail Özdemir、Cemal Kaya、Loïc Toupet

  DOI：10.1002/ejoc.201501070

  日期：2015.11

  Unsymmetrical imidazolium salts, each having one nitrogen atom (N1) substituted by a cavity-shaped TPR group (TPR = 2,8,14,20-tetrapentylresorcinaren-5-yl), were tested in situ as proligands for the copper-catalysed allylic arylation of cinnamyl bromide with arylmagnesium halides. The catalytic systems produced mixtures of linear (l) and branched (b) arylated compounds in variable proportions, with

  不对称咪唑盐，每个都有一个氮原子 (N1) 被空腔形 TPR 基团（TPR = 2,8,14,20-四戊基间苯二酚-5-基）取代，作为铜催化烯丙基的前配体进行了原位测试肉桂基溴与芳基卤化镁的芳基化。催化系统产生不同比例的线性 (l) 和支化 (b) 芳基化化合物的混合物，其中 b/l 比最高 (78:22) 用于最拥挤的咪唑鎓盐，即第二个氮原子(N2)被甲基取代。从咪唑鎓盐之一获得的 N-杂环卡宾配合物通过 X 射线衍射研究进行表征。
• Photocatalytic Radical <i>Ortho</i>-Dearomative Cyclization: Access to Spiro[4.5]deca-1,7,9-trien-6-ones
  作者：Wuheng Dong、Yao Yuan、Caiyun Liang、Feng Wu、Siyuan Zhang、Xiaomin Xie、Zhaoguo Zhang

  DOI：10.1021/acs.joc.0c02477

  日期：2021.3.5

  cyclization reaction between alkynes and 2-bromo-2-(2-methoxybenzyl)malonate via visible light-induced photoredox catalysis has been reported. In the presence of 1 mol % fac-Ir(ppy)3, a variety of spiro[4.5]deca-1,7,9-trien-6-ones were obtained in moderate to excellent yields under mild conditions. Under the optimized reaction conditions, a sample reaction of 3 mmol scale proceeded smoothly to give the

  据报道，炔烃和2-溴-2-（2-甲氧基苄基）丙二酸酯之间通过可见光诱导的光氧化还原催化的高效邻位定环反应。在1mol％的fac- Ir（ppy）3的存在下，在温和的条件下以中等至优异的产率获得了各种螺[4.5] deca-1,7,9-三烯-6-。在优化的反应条件下，3 mmol规模的样品反应平稳进行，以84％的收率得到了所需的产物，催化剂负载量仅为0.1 mol％。
• Insecticidal n-(substituted arylmethyl)-4-[bis(substituted phenyl) methyl]p
  申请人：FMC Corporation

  公开号：US05569664A1

  公开（公告）日：1996-10-29

  Compounds of the following structure, the corresponding N-oxides and agriculturally acceptable salts, are disclosed as effective insecticides: ##STR1## in which U is selected from ##STR2## Q is selected from hydrogen, hydroxy, sulfhydryl, and fluorine; R is selected from a heterocycle having 5 or 6 ring atoms, optionally fused to a benzene ring, and ##STR3## wherein V, W, X, Y, Z are as defined in the specification.

  以下结构化合物，对应的N-氧化物和农业可接受的盐，被披露为有效的杀虫剂：##STR1## 其中U从##STR2## 中选择，Q从氢、羟基、硫醇和氟中选择；R从具有5个或6个环原子的杂环中选择，可选地融合到苯环和##STR3## 中选择，其中V、W、X、Y、Z如规范中定义。
• Insecticidal N-(substituted arylmethyl)-4-[bis(substituted
  申请人：FMC Corporation

  公开号：US05639763A1

  公开（公告）日：1997-06-17

  Compounds of the following structure, the corresponding N-oxides and agriculturally acceptable salts, are disclosed as effective insecticides: ##STR1## in which U is selected from --(CH.sub.2).sub.n -- and ethylidene; Q is selected from hydrogen, hydroxy, sulfhydryl, and fluorine; R is ##STR2## in which V is selected from hydrogen, halogen, alkyl, haloalkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsilyloxy, dialkylamino, cyano, nitro, hydroxy, and phenyl; Y and Z are independently selected from hydrogen and alkoxy; W and X taken together is --OCH.sub.2 CH.sub.2 O--, --CH.sub.2 C(CH.sub.3).sub.2 O--, --OC(CH.sub.3).sub.2 O--, or --N.dbd.C(C.sub.2 H.sub.5)O--; R.sup.1 and R.sup.2 are independently selected from phenyl substituted with halogen, alkyl, haloalkyl, haloalkoxy, alkoxyalkyl, hydroxy, arylthio, alkoxy, dialkylamino, dialkylaminosulfonyl, hydroxyalkylaminocarbonyl, alkylsulfonyloxy, and haloalkylsulfonyloxy; and n is 1, 2, or 3.

  公开了具有以下结构的化合物，相应的N-氧化物和农业可接受的盐作为有效的杀虫剂：##STR1## 其中U从--(CH.sub.2).sub.n--和乙烯基中选择；Q从氢、羟基、硫醇和氟中选择；R从##STR2## 中选择，其中V从氢、卤素、烷基、卤代烷基、烷氧基、烷基硫基、烷基亚砜基、烷基硅氧基、二烷基氨基、氰基、硝基、羟基和苯基中选择；Y和Z独立地从氢和烷氧基中选择；W和X结合在一起是--OCH.sub.2 CH.sub.2 O--，--CH.sub.2 C(CH.sub.3).sub.2 O--，--OC(CH.sub.3).sub.2 O--或--N.dbd.C(C.sub.2 H.sub.5)O--；R.sup.1和R.sup.2独立地从用卤素、烷基、卤代烷基、卤代烷氧基、烷氧基烷基、羟基、芳基硫基、烷氧基、二烷基氨基、二烷基氨基磺酰基、羟基烷基氨基羰基、烷基砜氧基和卤代烷基砜氧基取代的苯基中选择；n为1、2或3。