2-氯-1-[4-(2-羟基乙基)苯基]乙酮 | 134681-01-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-[4-(2-羟基乙基)苯基]乙酮
• 英文名称: 2-Chloro-1-[4-(2-hydroxy-ethyl)-phenyl]-ethanone
• 英文别名: 2-Chloro-1-[4-(2-hydroxyethyl)phenyl]ethanone
• CAS: 134681-01-9
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: PMLGMBKHWMTMAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-1-[4-(2-羟基乙基)苯基]乙酮 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Reactivity of Functional Groups on the Protein Surface:  Development of Epoxide Probes for Protein Labeling

  摘要：

  We present the development of new affinity probes for protein labeling based on an epoxide reactive group. Systematic screening revealed that an epoxide functionality possesses the special combination of stability and reactivity which renders it stable toward proteins in solution but reactive on the protein surface outside the active site (proximity-induced reactivity). Highly efficient and selective labeling of purified HCA 11 (human carbonic anhydrase 11) was achieved. For instance, 2 equiv of epoxide probe 9 was sufficient for nearly quantitative labeling of HCA 11 (>90% yield, 20 h reaction time). MS analysis of the labeled protein revealed that 1 equiv of the probe was attached and that labeling occurred at a single residue (His 64) outside the active site. Importantly, epoxide probe 9 selectively labeled HCA 11 both in simple protein mixtures and in cellular extracts. In addition to the chemical insight and its relevance to many epoxide-containing natural products, this study generated a promising lead in the development of new affinity probes for protein labeling.

  DOI：

  10.1021/ja034287m
• 作为产物：
  描述：

  三氯化铝 、 氯乙酰氯 、 苯乙醇 、 在 二氯甲烷 、 水 、 magnesium sulfate 、 乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以to give 48.8 g (81.9%) of compound 5的产率得到2-氯-1-[4-(2-羟基乙基)苯基]乙酮
  参考文献：
  名称：

  Transition metal bis(dithiolene) complex polymers

  摘要：

  一种新型的过渡金属双(二硫醇)配合物聚合物，具有改进的物理特性。这些聚合物通常是通过首先制备双功能化的过渡金属双(二硫醇)配合物，然后将双功能化配合物与一个或多个其他双功能化化合物反应而制备的。通过双功能反应物可以将各种灵活的连接链并入聚合物链中，以改变所得聚合物的物理性质。这些聚合物可以用作近红外滤光器，既可以作为支持的薄膜，也可以作为自由悬挂的薄膜。

  公开号：

  US05089585A1

文献信息

• US5089585A
  申请人：——

  公开号：US5089585A

  公开（公告）日：1992-02-18
• Reactivity of Functional Groups on the Protein Surface:  Development of Epoxide Probes for Protein Labeling
  作者：Gong Chen、Alexander Heim、Doris Riether、Dominic Yee、Yelena Milgrom、Mary Ann Gawinowicz、Dalibor Sames

  DOI：10.1021/ja034287m

  日期：2003.7.1

  We present the development of new affinity probes for protein labeling based on an epoxide reactive group. Systematic screening revealed that an epoxide functionality possesses the special combination of stability and reactivity which renders it stable toward proteins in solution but reactive on the protein surface outside the active site (proximity-induced reactivity). Highly efficient and selective labeling of purified HCA 11 (human carbonic anhydrase 11) was achieved. For instance, 2 equiv of epoxide probe 9 was sufficient for nearly quantitative labeling of HCA 11 (>90% yield, 20 h reaction time). MS analysis of the labeled protein revealed that 1 equiv of the probe was attached and that labeling occurred at a single residue (His 64) outside the active site. Importantly, epoxide probe 9 selectively labeled HCA 11 both in simple protein mixtures and in cellular extracts. In addition to the chemical insight and its relevance to many epoxide-containing natural products, this study generated a promising lead in the development of new affinity probes for protein labeling.
• Transition metal bis(dithiolene) complex polymers
  申请人：Board of Regents, The University of Texas System

  公开号：US05089585A1

  公开（公告）日：1992-02-18

  A new class of transition metal bis(dithiolene) complex polymers having improved physical characteristics. These polymers are generally prepared by first preparing a bifunctionalized transition metal bis(dithiolene) complex, then reacting the bifunctionalized complex with one or more other bifunctional compounds. A wide variety of flexible linkage can be incorporated into the polymer chain via the bifunctional reactant to vary the physical properties of the resulting polymer. The polymers can be used as near infrared filters, both as supported and freestanding films.

  一种新型的过渡金属双(二硫醇)配合物聚合物，具有改进的物理特性。这些聚合物通常是通过首先制备双功能化的过渡金属双(二硫醇)配合物，然后将双功能化配合物与一个或多个其他双功能化化合物反应而制备的。通过双功能反应物可以将各种灵活的连接链并入聚合物链中，以改变所得聚合物的物理性质。这些聚合物可以用作近红外滤光器，既可以作为支持的薄膜，也可以作为自由悬挂的薄膜。