O-butyl isopropylphosphonic acid | 98425-14-0

• 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: O-butyl isopropylphosphonic acid
• 英文别名: Butoxy(propan-2-yl)phosphinic acid；butoxy(propan-2-yl)phosphinic acid
• CAS: 98425-14-0
• 化学式: C₇H₁₇O₃P
• 分子量: 180.184
• InChiKey: ZBBPVQGCUIFYBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  5
• 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：

  O-butyl isopropylphosphonic acid 、 O-pentyl isopropylphosphonic chloride 在 aluminum oxide 作用下， 反应 0.08h， 以85.3%的产率得到O-pentyl-O'-butyl-P,P'-diisopropyl pyrophosphonate
  参考文献：
  名称：

  Surface Mediated Synthesis of Unsymmetrical O,O-dialkyl Alkyl Pyrophosphonates using Neutral Alumina: Potential Chemical Weapons Convention Related Compounds

  摘要：

  介绍了以 O-烷基烷基膦酸为原料，通过表面介导合成非对称 O,O'-二烷基烷基焦磷酸盐的方法。这些焦磷酸盐被列入《化学武器公约》（CWC）附表 2B4。此外，还研究了色谱级 Al2O3 的存在对一系列烷基膦酸磷化的影响。对于具有不同烷基的膦酸，观察到在 Al2O3 的存在下形成的受阻程度较高的焦磷酸盐的产率较高。与传统方法相比，该方法具有操作简便、反应时间短和产率高等优点。

  DOI：

  10.3184/030823408x318316
• 作为产物：
  描述：

  异丙基磷酸 、 正丁醇 在 苯胂酸 作用下， 生成 O-butyl isopropylphosphonic acid
  参考文献：
  名称：

  Surface Mediated Synthesis of Unsymmetrical O,O-dialkyl Alkyl Pyrophosphonates using Neutral Alumina: Potential Chemical Weapons Convention Related Compounds

  摘要：

  介绍了以 O-烷基烷基膦酸为原料，通过表面介导合成非对称 O,O'-二烷基烷基焦磷酸盐的方法。这些焦磷酸盐被列入《化学武器公约》（CWC）附表 2B4。此外，还研究了色谱级 Al2O3 的存在对一系列烷基膦酸磷化的影响。对于具有不同烷基的膦酸，观察到在 Al2O3 的存在下形成的受阻程度较高的焦磷酸盐的产率较高。与传统方法相比，该方法具有操作简便、反应时间短和产率高等优点。

  DOI：

  10.3184/030823408x318316

文献信息

• Phosphonate Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239921A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is a phosphonate (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了包括式子I或其药学上可接受的盐或组合物的补体因子D抑制剂的化合物、使用方法和制备方法，其中在A基团上的R12或R13是磷酸酯（R32）。本文所述的抑制剂靶向因子D，在替代性补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病，以及缺血再灌注损伤和癌症有关。
• PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20160362432A1

  公开（公告）日：2016-12-15

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is a phosphonate (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement.
• PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20170260219A1

  公开（公告）日：2017-09-14

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is a phosphonate (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.
• US9663543B2
  申请人：——

  公开号：US9663543B2

  公开（公告）日：2017-05-30
• DCC–Celite hybrid immobilized solid support as a new, highly efficient reagent for the synthesis of O-alkyl hydrogen alkylphosphonates under solvent-free conditions
  作者：A.K. Gupta、Rajesh Kumar、H.K. Gupta、Vijay Tak、D.K. Dubey

  DOI：10.1016/j.tetlet.2008.01.016

  日期：2008.3

  An efficient and solvent-free synthesis of O-alkyl hydrogen alkyl phosphonates is described. The methodology involves the condensation of alkyl phosphonic acids using DCC-Celite under solvent-free conditions. (c) 2008 Elsevier Ltd. All rights reserved.