Heptyl-phosphonic acid monoethyl ester | 729572-08-1

• 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: Heptyl-phosphonic acid monoethyl ester
• 英文别名: Ethoxy(heptyl)phosphinic acid
• CAS: 729572-08-1
• 化学式: C₉H₂₁O₃P
• 分子量: 208.238
• InChiKey: HCDLTAHUJKIXJE-UHFFFAOYSA-N

物化性质

• 沸点：
  289.8±23.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  8
• 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：

  Heptyl-phosphonic acid monoethyl ester 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 Heptyl-phosphonic acid mono-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
  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：

  heptyl-phosphonic acid diethyl ester 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 Heptyl-phosphonic acid monoethyl ester
  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

• PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND SURFACE TREATMENT AGENT FOR PEROVSKITE-TYPE CRYSTAL FILM
  申请人：FUJIFILM Corporation

  公开号：EP3509117A1

  公开（公告）日：2019-07-10

  Provided is a photoelectric conversion element in which a photosensitive layer is composed of a light absorbing agent containing a perovskite compound, the element including a protective layer that includes a compound having a molecular weight of 5000 or less which is represented by Formula (A), on a surface of the photosensitive layer; a method for manufacturing this photoelectric conversion element; and a solar cell which is formed of this photoelectric conversion element.         Formula (A)     RA-Z In Formula (A), RA represents a specific group. Z represents an acidic group or a salt thereof. Further provided is a surface treating agent for a perovskite-type crystal film, including a compound having a molecular weight of 5000 or less which is represented by Formula (A).

  本发明提供了一种光电转换元件，其中的光敏层由含有过氧化物化合物的光吸收剂组成，该元件包括保护层，保护层包括在光敏层表面的分子量为 5000 或更小的由式（A）表示的化合物；一种制造这种光电转换元件的方法；以及一种由这种光电转换元件构成的太阳能电池。 式（A） RA-Z 式（A）中，RA 代表特定基团。Z 代表酸性基团或其盐。 本发明还提供一种包晶型晶体薄膜的表面处理剂，包括一种分子量在 5000 或以下、由式（A）表示的化合物。
• Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall
  作者：Stanislav Gobec、Ivan Plantan、Janez Mravljak、Urban Švajger、Rosalind A. Wilson、Gurdyal S. Besra、Sousana L. Soares、Rui Appelberg、Danijel Kikelj

  DOI：10.1016/j.ejmech.2006.08.007

  日期：2007.1

  Phosphonate inhibitors of antigen 85C were prepared. The inhibitors, comprising a phosphonate moiety, mycolic acid mimetic and a trehalose surrogate, contain substituted benzyl alcohols, N-(omega-hydroxyalky)phthalimide, 2-phenylethanol or 4-(phthalimido)butanol as trehalose mimetics, and an alkyl chain of different lengths mimicking the mycolic acid side chain. The best compounds inhibited the mycolyltransferase activity of antigen 85C With IC50 in the low micromolar range and inhibited the growth of Mycobacterium avium in culture. The best compounds in the 3-phenoxybenzyl- and omega-(phthalimido)alkoxy series, ethyl 3-phenoxybenzyl butylphosphonate (4a) and (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl) methyl ethyl heptylphosphonate (5c) displayed IC50 values of 2.0 and 1.3 mu M, respectively, in a mycolyltransferase inhibition assay. In a M. avium growth inhibition assay MIC of 4a and (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl ethyl nonylphosphonate (5d) were 248.8 and 84.5 mu g/mL, respectively. (c) 2006 Elsevier Masson SAS. All rights reserved.
• Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall
  作者：Stanislav Gobec、Ivan Plantan、Janez Mravljak、Rosalind A. Wilson、Gurdyal S. Besra、Danijel Kikelj

  DOI：10.1016/j.bmcl.2004.04.052

  日期：2004.7

  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.