methyl 2-bromo-3-(4-methoxyphenyl)propanoate | 100126-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-bromo-3-(4-methoxyphenyl)propanoate
• CAS: 100126-02-1
• 化学式: C₁₁H₁₃BrO₃
• 分子量: 273.126
• InChiKey: IWHRERVBQCGNPG-UHFFFAOYSA-N

物化性质

• 沸点：
  102 °C(Press: 0.03 Torr)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-bromo-3-(4-methoxyphenyl)propanoate 在 氢溴酸 、 sodium t-butanolate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 5-(4-羟基苄基)噻唑烷-2,4-二酮
  参考文献：
  名称：

  一种含藻类活性提取物的美白护肤品

  摘要：

  本发明公开了一种含藻类活性提取物的美白护肤品，各原料的质量百分比为：透明质酸2‑5％、卵磷脂0.5‑1％、甘油4‑8％、鲸蜡硬脂醇1‑5％、甘油硬脂酸酯1‑5.5％、聚二甲基硅氧烷0.5‑3％、藻类活性提取物0.5‑1.5％、美白抑黑剂0.2‑0.8％、天然美白油脂2‑6％、VC 0.5‑1％、VE 0.5‑1％、pH调节剂0.1‑0.35％、丙二醇1‑5％、余量为去离子水；原料成分配比科学，在内抑制酪氨酸酶的活性，从根本上解决黑色素生成的问题，在外，通过银杏藻提取物对活性自由基的清除，提高皮肤的免疫功能，从而达到长久持续的皮肤美白功效。

  公开号：

  CN109010160A
• 作为产物：
  描述：

  甲氧苯胺 、 丙烯酸甲酯（MA） 在 氢溴酸 、 sodium nitrite 、 copper(II) oxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.5h， 以86.3%的产率得到methyl 2-bromo-3-(4-methoxyphenyl)propanoate
  参考文献：
  名称：

  一种含藻类活性提取物的美白护肤品

  摘要：

  本发明公开了一种含藻类活性提取物的美白护肤品，各原料的质量百分比为：透明质酸2‑5％、卵磷脂0.5‑1％、甘油4‑8％、鲸蜡硬脂醇1‑5％、甘油硬脂酸酯1‑5.5％、聚二甲基硅氧烷0.5‑3％、藻类活性提取物0.5‑1.5％、美白抑黑剂0.2‑0.8％、天然美白油脂2‑6％、VC 0.5‑1％、VE 0.5‑1％、pH调节剂0.1‑0.35％、丙二醇1‑5％、余量为去离子水；原料成分配比科学，在内抑制酪氨酸酶的活性，从根本上解决黑色素生成的问题，在外，通过银杏藻提取物对活性自由基的清除，提高皮肤的免疫功能，从而达到长久持续的皮肤美白功效。

  公开号：

  CN109010160A

文献信息

• Photocatalytic Radical Coupling of Organoborates with α-Halogenated Electron-Poor Olefins
  作者：Marina Caldarelli、Sarah Jane Rezzi、Nicoletta Colombo、Tracey Pirali、Gianluca Papeo

  DOI：10.1021/acs.joc.3c02386

  日期：2024.1.5

  Herein, we report the visible-light-mediated addition of organoborates to α-halogenated electron-poor olefins enabled by an environmentally benign metal-free catalyst. The method accommodates a variety of boronic acid derivatives as well as alkenes and delivers the corresponding saturated α-halo-derivatives in up to 90% yields. The obtained products are high-value building blocks in organic synthesis

  在此，我们报告了通过环境友好的无金属催化剂实现的可见光介导的有机硼酸盐与α-卤代贫电子烯烃的加成。该方法适用于各种硼酸衍生物以及烯烃，并以高达 90% 的产率提供相应的饱和 α-卤代衍生物。所得产品是有机合成中的高价值构建模块，可进行各种后续转化。
• Development and evaluation of ST-1829 based on 5-benzylidene-2-phenylthiazolones as promising agent for anti-leukotriene therapy
  作者：Andreas P. Lill、Carmen B. Rödl、Dieter Steinhilber、Holger Stark、Bettina Hofmann

  DOI：10.1016/j.ejmech.2014.10.054

  日期：2015.1

  Different inflammatory diseases and allergic reactions are mediated by leukotrienes, which arise from the oxygenation of arachidonic acid catalyzed by 5-lipoxygenase (5-LO). One promising approach for an effective anti-leukotriene therapy is the inhibition of this key enzyme. This study presents the synthesis and development of a potent and direct 5-LO inhibitor based on the well characterized 5-benzylidene-2-phenylthiazolone C06, whose further pharmacological investigation was precluded due to its low solubility. Through optimization of C06, evaluation of structure activity relationships including profound assessment of the thiazolone core and consideration of the solubility, the 5-benzyl-2-phenyl-4-hydroxythiazoles represented by 46 (ST-1829, 5-(4-chlorobenzyl)-2-p-tolylthiazol-4-ol) were developed. Compound 46 showed an improved 5-LO inhibitory activity in cell-based (IC50 values 0.14 mu M) and cell-free assays (IC50 values 0.03 mu M) as well as a prominent enhanced solubility. Furthermore, it kept its promising inhibitory potency in the presence of blood serum, excluding excessive binding to serum proteins. These facts combined with the non-cytotoxic profile mark a major step towards an effective anti-inflammatory therapy. (C) 2014 Elsevier Masson SAS. All rights reserved.
• Maimind et al., Zhurnal Obshchei Khimii, 1956, vol. 26, p. 2313,2315; engl. Ausg. S. 2587, 2589
  作者：Maimind et al.

  DOI：——

  日期：——
• Design, Synthesis, and Biological Evaluation of Ring-Constrained Novobiocin Analogues as Hsp90 C-Terminal Inhibitors
  作者：Gaurav Garg、Huiping Zhao、Brian S. J. Blagg

  DOI：10.1021/ml5004475

  日期：2015.2.12

  Hsp90 C-terminal inhibitors represent a novel and alternative chemotherapeutic approach for the treatment of cancer. Novobiocin was the first natural product identified as an Hsp90 C-terminal inhibitor; however, it manifests poor antiproliferative activity. In contrast to N-terminal inhibitors, novobiocin does not induce the pro-survival heat shock response. Structural investigations on novobiocin have elucidated some structure-activity relationships and several promising compounds. On the basis of structure-activity relationships and computational studies, a library of ring-constrained novobiocin analogues was designed, synthesized, and evaluated in antiproliferative assays. Results obtained from these studies provide insights into the Hsp90 C-terminal binding site, and new analogues that were developed manifest low micromolar to mid-nanomolar antiproliferative activity resulting from Hsp90 inhibition.
• 一种含藻类活性提取物的美白护肤品
  申请人：韶关市小豆子电子科技有限公司

  公开号：CN109010160A

  公开（公告）日：2018-12-18

  本发明公开了一种含藻类活性提取物的美白护肤品，各原料的质量百分比为：透明质酸2‑5％、卵磷脂0.5‑1％、甘油4‑8％、鲸蜡硬脂醇1‑5％、甘油硬脂酸酯1‑5.5％、聚二甲基硅氧烷0.5‑3％、藻类活性提取物0.5‑1.5％、美白抑黑剂0.2‑0.8％、天然美白油脂2‑6％、VC 0.5‑1％、VE 0.5‑1％、pH调节剂0.1‑0.35％、丙二醇1‑5％、余量为去离子水；原料成分配比科学，在内抑制酪氨酸酶的活性，从根本上解决黑色素生成的问题，在外，通过银杏藻提取物对活性自由基的清除，提高皮肤的免疫功能，从而达到长久持续的皮肤美白功效。