bromoacetic acid 2-ethylhexyl ester | 68144-73-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bromoacetic acid 2-ethylhexyl ester
• 英文别名: 2-ethylhexyl 2-bromoacetate；2-ethylhexyl bromoacetate；2-ethylhexyl ester 2-bromoacetic acid；Bromessigsaeure-<2-aethyl-hexylester>；Bromessigsaeure-(2-aethyl-hexylester)
• CAS: 68144-73-0
• 化学式: C₁₀H₁₉BrO₂
• 分子量: 251.164
• InChiKey: MAHUQNLJZDBIQD-UHFFFAOYSA-N

物化性质

• 沸点：
  243.1±8.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  bromoacetic acid 2-ethylhexyl ester 在 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 2.0h， 生成 巯基乙酸异辛酯
  参考文献：
  名称：

  四氟吡啶硫化物与卤乙烯光催化交叉偶联合成β,γ-不饱和羰基化合物

  摘要：

  β,γ-不饱和羰基化合物是有机合成和药物化学中的通用结构单元。在此，我们报道了由四氟吡啶硫化物与卤乙烯合成β,γ-不饱和羰基化合物。这种交叉偶联反应利用了光催化和锌催化的优点，锌催化因其毒性较小、地球资源丰富且成本效益高而受到青睐。

  DOI：

  10.1021/acs.joc.3c01800
• 作为产物：
  描述：

  2-乙基己醇 、 溴乙酸 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以89%的产率得到bromoacetic acid 2-ethylhexyl ester
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Sulfur-Containing Cinnamate and Salicylate Derivatives

  摘要：

  UV照射诱导活性氧自由基和基质金属蛋白酶（MMPs）的形成，被认为与皮肤的光损伤有关。MMP-1是负责皮肤组织胶原蛋白破坏的主要胶原酶。为了开发新的抗光老化剂，设计并合成了一系列2,2′-二硫代肉桂酸酯衍生物和2,2′-二硫或2-硫苯甲酸酯衍生物。合成化合物的生物活性被检测其对ABTS [2,2′-氮杂双(3-乙基苯并噻唑-6-磺酸)]自由基的清除活性、MMP-1抑制活性以及对人真皮成纤维细胞的细胞毒性。确定了对UV照射具有潜在抵抗力的化合物。这些化合物预计对防止皮肤光损伤具有一定的作用。

  DOI：

  10.1248/cpb.56.369

文献信息

• Structure–property relationships and third-order nonlinearities in diketopyrrolopyrrole based D–π–A–π–D molecules
  作者：Jan Podlesný、Lenka Dokládalová、Oldřich Pytela、Adam Urbanec、Milan Klikar、Numan Almonasy、Tomáš Mikysek、Jaroslav Jedryka、Iwan V Kityk、Filip Bureš

  DOI：10.3762/bjoc.13.235

  日期：——

  Nine new quadrupolar chromophores based on diketopyrrolopyrrole were designed and prepared by cross-coupling reactions. The property tuning has been achieved by structural variation of the peripheral substituents (donor) and enlargement of the π-system. Fundamental properties of target molecules were studied by differential scanning calorimetry, electrochemistry, and absorption and emission spectra. Nonlinear optical properties were studied by measuring the third harmonic generation. The experimental data were completed by quantum-chemical calculations and structure–property relationships were elucidated.

  基于二酮吡咯烷酮的九种新的四极色团通过交叉偶联反应设计并制备。通过外围取代基（给体）的结构变化和π-系统的扩大实现了性质调控。通过差示扫描量热法、电化学、吸收和发射光谱研究了目标分子的基本性质。通过测量第三次谐波产生研究了非线性光学性质。实验数据通过量子化学计算得到完善，并阐明了结构-性质关系。
• [EN] WATER- OR ACID-TRIGGERED FRAGRANCE RELEASE FUNCTIONAL MONOMER AND POLYMER SYSTEM<br/>[FR] MONOMÈRE FONCTIONNEL POUR LIBÉRATION DE PARFUM DÉCLENCHÉE PAR DE L'EAU OU DE L'ACIDE ET SYSTÈME POLYMÈRE
  申请人：KIMBERLY CLARK CO

  公开号：WO2017091227A1

  公开（公告）日：2017-06-01

  A triggerable composition for one-stage, controlled release of a functional chemical includes a functional monomer having a structure selected from the group described herein, wherein R is a polymerizable portion, N+X- is a quaternary ammonium halide, and R' and R" are hydrocarbon-containing groups, wherein at least one of R' and R" includes a fragrance or a skin active chemical. At least one of R' and R" can be a ketone, R" can be an aldehyde, and R' can be an alcohol.

  一种可触发的组合物用于一阶段控制释放功能化学品，包括具有从所述组中选择的结构的功能单体，其中R是可聚合部分，N+X-是季铵盐，R'和R"是含碳氢基团，其中至少一个R'和R"包括香料或皮肤活性化学品。R'和R"中至少一个可以是酮，R"可以是醛，R'可以是醇。
• Fluorescent organogels as templates for sol–gel transcription toward creation of optical nanofibers
  作者：Kazunori Sugiyasu、Norifumi Fujita、Seiji Shinkai

  DOI：10.1039/b501067e

  日期：——

  1,10-Phenanthroline-appended cholesterol-based gelators (1 and 2) and their non-gelling reference compounds (1′ and 2′) were synthesized. It was shown that the gelation abilities of 1 and 2 are quite different, in spite of their structural similarity. Compound 1 can form gels with various kinds of organic solvents, whereas 2 is capable of gelation only in acidic solvents. This difference in gelation abilities seems to be due to the difference in the stacking mode of the phenanthroline moieties, as confirmed by CD spectra. TEM and AFM observations showed that fibrillar aggregates are entangled in a three-dimensional network structure. The gels also showed beautiful fluorescence, characteristic of their molecular structures and gelation conditions (in the presence and the absence of acid). Organic assemblies thus characterized were subjected as templates for sol–gel polycondensation of metal alkoxide such as tetraethyl orthosilicate (TEOS) and tetra-n-butyl titanate. The resultant organic–inorganic composite materials showed the same fluorescence properties as the organic gels. After calcination, it was revealed by TEM observation that the silica and titania materials have a hollow structure, indicating that the sol–gel polycondensation reaction proceeds selectively at the surface of the organic assemblies. The CD spectrum of the organic–inorganic composite was similar to that of the organogel, indicating that the aggregation stacking mode of the original phenanthroline moieties is still retained even in the silica-gel phase. The organic–inorganic hybrids obtained are expected to lead to various nanostructured optoelectronic devices.

  研究人员合成了 1,10-菲罗啉基胆固醇凝胶剂（1 和 2）及其非凝胶参考化合物（1â² 和 2â²）。结果表明，尽管 1 和 2 的结构相似，但它们的凝胶能力却截然不同。化合物 1 可以在各种有机溶剂中形成凝胶，而化合物 2 只能在酸性溶剂中形成凝胶。这种凝胶能力上的差异似乎是由于菲罗啉分子的堆叠模式不同造成的，这一点已被 CD 光谱所证实。TEM 和原子力显微镜观察表明，纤维状聚集体以三维网络结构缠结在一起。凝胶还显示出美丽的荧光，这是其分子结构和凝胶条件（在有酸和无酸条件下）的特征。以此为特征的有机组合体被用作溶胶缩聚金属氧化物（如正硅酸四乙酯（TEOS）和钛酸四正丁酯）的模板。由此得到的有机无机复合材料显示出与有机凝胶相同的荧光特性。煅烧后，通过 TEM 观察发现，二氧化硅和二氧化钛材料具有中空结构，这表明溶胶缩聚反应选择性地在有机组装体表面进行。有机无机复合材料的 CD 光谱与有机凝胶相似，表明即使在二氧化硅-凝胶相中，原始菲罗啉分子的聚集堆叠模式仍然保留。所获得的有机无机混合物有望制成各种纳米结构的光电器件。
• PRESSURE-SENSITIVE ADHESIVES PREPARED FROM DEGRADABLE MONOMERS AND POLYMERS
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US20150337179A1

  公开（公告）日：2015-11-26

  Pressure-sensitive adhesives that have good performance characteristics under typical use conditions and that later can be degraded and/or removed readily under basic conditions are provided. More specifically, the pressure-sensitive adhesives contain a copolymeric (meth)acrylic-based elastomeric material prepared from a polymerizable material that contains a (meth)acrylate monomer having both a (meth)acryloyl group plus an ester linkage that is not part of a (meth)acryloyl group.

  提供了在典型使用条件下具有良好性能特征并在碱性条件下可以轻易降解和/或去除的压敏粘合剂。更具体地说，这些压敏粘合剂包含一种共聚的（甲基）丙烯酸基弹性材料，该材料是由一种含有（甲基）丙烯酸酯单体的聚合物材料制备而成，该单体具有（甲基）丙烯酰基和不是（甲基）丙烯酰基的酯键。
• Diphenylamine end-capped diketopyrrolopyrroles with phenylene–vinylene conjugation extension
  作者：Štěpán Frebort、Martin Vala、Stanislav Luňák、Jana Honová、Tomáš Mikysek、Zdeněk Eliáš、Antonín Lyčka

  DOI：10.1016/j.tetlet.2014.03.080

  日期：2014.4

  Two pyrrolo[3,4-c]pyrrole-1,4-diones (diketopyrrolopyrroles, DPP) with 4 ''-diphenylamino-stilben-4'-yl substituents at the 3- and 3,6-positions of the DPP heterocycle are synthesized. The H-1 and C-13 NMR spectra of their soluble derivatives, N(2) and N(5)-dialkylated by 2-ethylhexyl bromoacetate, were completely assigned. Soluble DPPs show photovoltaic activity in bulk heterojunction solar cells. Their electrochemistry and absorption and fluorescence spectra were studied. (C) 2014 Elsevier Ltd. All rights reserved.