ethyl hydrogen hexylphosphonate | 16165-73-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: ethyl hydrogen hexylphosphonate
• 英文别名: n-Hexylphosphonsaeuremonoethylester；hexylphosphonic acid, diethyl ester；N-Hexylphosphonate Ethyl Ester；ethoxy(hexyl)phosphinic acid
• CAS: 16165-73-4
• 化学式: C₈H₁₉O₃P
• 分子量: 194.211
• InChiKey: XPLOQMVUXWZLET-UHFFFAOYSA-N

物化性质

• 沸点：
  272.4±23.0 °C(Predicted)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl hydrogen hexylphosphonate 在 sodium azide 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 2-(1,3-Dioxoisoindolin-2-yl)ethoxy-hexyl-phosphinic acid
  参考文献：
  名称：

  Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall

  摘要：

  The first phosphonate inhibitors of antigen 85C-a major protein component of the Mycobacterium tuberculosis cell wall possessing mycolyltransferase activity were prepared using structure-based design. These potential novel antituberculosis agents, consisting of a phosphonate moiety, hydrophobic alkyl chain and a simple trehalose-mimicking aromatic structure, were designed as tetrahedral transition-state analogue inhibitors of antigen 85C, which catalyzes the key mycolyltransferase reaction involved in cell wall biosynthesis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.052
• 作为产物：
  描述：

  己基膦酸二乙酯 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 ethyl hydrogen hexylphosphonate
  参考文献：
  名称：

  Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall

  摘要：

  The first phosphonate inhibitors of antigen 85C-a major protein component of the Mycobacterium tuberculosis cell wall possessing mycolyltransferase activity were prepared using structure-based design. These potential novel antituberculosis agents, consisting of a phosphonate moiety, hydrophobic alkyl chain and a simple trehalose-mimicking aromatic structure, were designed as tetrahedral transition-state analogue inhibitors of antigen 85C, which catalyzes the key mycolyltransferase reaction involved in cell wall biosynthesis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.052

文献信息

• Phosphonamidate compounds
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04432971A1

  公开（公告）日：1984-02-21

  Phosphonamidates of the formula ##STR1## wherein X is a substituted or unsubstituted imino or amino acid or ester. These compounds possess angiotensin converting enzyme activity and are thus useful as hypotensive agents.

  式中X为取代或未取代的亚胺基或氨基酸或酯。这些化合物具有血管紧张素转化酶活性，因此可用作降压剂。
• Selective Esterification of Phosphonic Acids
  作者：Damian Trzepizur、Anna Brodzka、Dominik Koszelewski、Ryszard Ostaszewski

  DOI：10.3390/molecules26185637

  日期：——

  proposed methodology was verified on aromatic as well as aliphatic phosphonic acids. The designed method can be successfully applied for small- and large-scale experiments without significant loss of selectivity or reaction yield. Several devoted experiments were performed to give insight into the reaction mechanism. At 30 °C, monoesters are formed via an intermediate (1,1-diethoxyethyl ester of phosphonic

  在这里，我们报告了膦酸单酯化和二酯化的直接和选择性合成程序。研究了一系列烷氧基供体，发现原乙酸三乙酯是进行转化的最佳试剂和溶剂。发现了对反应过程的重要温度影响。取决于反应温度，以合适的产率专门获得膦酸的单乙酯或二乙酯。所提出的方法的底物范围在芳香族和脂肪族膦酸上得到验证。所设计的方法可成功应用于小规模和大规模实验，而不会显着降低选择性或反应收率。进行了几次专门的实验以深入了解反应机理。在 30 °C 时，单酯通过中间体（膦酸的 1,1-二乙氧基乙酯）形成。在更高的温度下，类似的中间体形式产生二酯或稳定且可检测的焦膦酸盐，它们也被消耗以产生二酯。31 P NMR 光谱用于确定焦膦酸酯的结构并监测反应过程。不需要额外的试剂、良好的可及性和直接的纯化是所开发协议的重要方面。
• Process for the preparation of lactic acid-based polyester compositions
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0765913A1

  公开（公告）日：1997-04-02

  The present invention provides a process for the preparation of a biodegradable lactic acid-based polyester composition excellent in thermal stability, storage stability, flexibility, heat resistance, mechanical and physical properties and moldability which comprises kneading a lactic acid-based polyester and a polyester consisting of dicarboxylic acid component(s) and diol component(s) with a chelating agent, an acidic phosphoric acid ester, a molecular weight increasing agent, etc., and then devolatilizing the kneaded mixture. The present invention also provides a molding process of the foregoing lactic acid-based polyester composition. A process for the preparation of a lactic acid-based polyester composition is provided, which comprises melt-kneading a lactic acid-based polyester (A), a polyester (B) consisting of dicarboxylic acid component(s) and diol component(s) and a chelating agent and/or acidic phosphoric acid ester (C) in an amount such that the weight ratio (A)/(B) is from 99/1 to 10/90 and the proportion of (C) is 0.001 to 5 parts by weight based on 100 parts by weight of the sum of (A) and (B). A process for molding a lactic acid-based polyester composition is also provided, which comprises kneading a lactic acid-based polyester (A) and a polyester (B) consisting of dicarboxylic acid component(s) and diol component(s) with a chelating agent and/or acidic phosphoric acid ester (C), and then molding the material.

  本发明提供了一种在热稳定性、储存稳定性、柔韧性、耐热性、机械和物理性能以及成型性方面具有优异性能的可生物降解的乳酸基聚酯组合物的制备工艺，该工艺包括将乳酸基聚酯和由二羧酸组分和二元醇组分组成的聚酯与螯合剂、酸性磷酸酯、分子量增加剂等进行捏合，然后将捏合后的混合物脱胶。本发明还提供了前述乳酸基聚酯组合物的成型工艺。本发明提供了一种乳酸基聚酯组合物的制备工艺，该工艺包括熔融捏合乳酸基聚酯 (A)、由二羧酸组分和二元醇组分组成的聚酯 (B) 以及螯合剂和/或酸性磷酸酯 (C)，其用量使得(A)/(B)的重量比为 99/1 至 10/90，(C)的比例为 0.001至5份重量比，以100份重量比的(A)和(B)之和为基准。还提供了一种成型乳酸基聚酯组合物的工艺，包括将乳酸基聚酯（A）和由二羧酸组分和二元醇组分组成的聚酯（B）与螯合剂和/或酸性磷酸酯（C）捏合，然后将材料成型。
• Lipolytic enzyme variants
  申请人：Novozymes A/S

  公开号：EP2113563A2

  公开（公告）日：2009-11-04

  The substrate specificity of a lipolytic enzyme can be modified by making alterations to the amino acid sequence in a defined region of the lipolytic enzyme, so as to increase the level of a desired activity or to decrease the level of an undesired activity. Thus, the inventors have developed lipolytic enzyme variants with a modified amino acid sequence with a substrate specificity which can be tailored for specific uses.

  通过改变脂肪分解酶特定区域的氨基酸序列，可以改变脂肪分解酶的底物特异性，从而提高所需的活性水平或降低不需要的活性水平。因此，本发明人开发出了具有经修饰的氨基酸序列的脂肪分解酶变体，其底物特异性可根据具体用途进行定制。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。