Isopropyl-phosphonic acid monobenzyl ester | 864463-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Isopropyl-phosphonic acid monobenzyl ester
• 英文别名: Phenylmethoxy(propan-2-yl)phosphinic acid
• CAS: 864463-20-7
• 化学式: C₁₀H₁₅O₃P
• 分子量: 214.201
• InChiKey: ZICYGSQQBFIAAT-UHFFFAOYSA-N

物化性质

• 沸点：
  330.8±35.0 °C(Predicted)
• 密度：
  1.166±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  Isopropyl-phosphonic acid monobenzyl ester 在 1-氯-N,N,2-三甲基丙烯胺 作用下， 以 氯仿 为溶剂， 反应 0.03h， 以94%的产率得到benzyl isopropylphosphonochloridate
  参考文献：
  名称：

  α-卤代烯胺作为将磷含氧酸转化为其卤代类似物的试剂

  摘要：

  磷含氧酸在温和条件下转化为它们的卤代类似物。α-卤代烯胺被证明是有效的卤素转移试剂，可提供良好至高产率的所需...

  DOI：

  10.1055/s-2005-865363
• 作为产物：
  描述：

  异丙基二氯磷酸 、 苯甲醇 在 水 作用下， 以 甲苯 为溶剂， 反应 4.5h， 生成 Isopropyl-phosphonic acid monobenzyl ester
  参考文献：
  名称：

  α-卤代烯胺作为将磷含氧酸转化为其卤代类似物的试剂

  摘要：

  磷含氧酸在温和条件下转化为它们的卤代类似物。α-卤代烯胺被证明是有效的卤素转移试剂，可提供良好至高产率的所需...

  DOI：

  10.1055/s-2005-865363

文献信息

• A New Microscale Method for the Conversion of Phosphorus Oxyacids to Their Fluorinated Analogues, Using Cyanuric Fluoride in Solution and on Solid Support
  作者：Rikard Wärme、Lars Juhlin

  DOI：10.1080/10426501003671445

  日期：2010.11.23

  Cyanuric fluoride, in solution or loaded onto a Wang resin, is successfully used as a fluorinating agent for phosphorus oxy acids. The reaction is very efficient with high yields and easy workup procedures, thereby in general generating products in quantitative yields. The cyanuric fluoride is proven suitable for micromolar scale synthesis of analytical standards, particularly in its resin-bound form

  溶液中或负载在 Wang 树脂上的氰尿酰氟已成功用作含氧磷酸的氟化剂。该反应非常有效，产率高，后处理程序简单，因此通常以定量产率产生产物。氰尿酰氟已被证明适用于分析标准品的微摩尔级合成，特别是其树脂结合形式。
• Phosphonate compounds for treatment of complement mediated disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US10301336B2

  公开（公告）日：2019-05-28

  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 R12 or R13 on the A group is a phosphonate (R32) 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.

  本发明提供了包含式 I 或其药学上可接受的盐或组合物（其中 A 基上的 R12 或 R13 是膦酸盐 (R32)）的补体因子 D 抑制剂的化合物、使用方法和制造工艺。本文所述的抑制剂以因子 D 为靶点，在替代补体途径的早期和关键点抑制或调节补体级联，并降低因子 D 调节经典和凝集素补体途径的能力。本文所述的因子 D 抑制剂能够减少补体的过度活化，而补体的过度活化与某些自身免疫性、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