isopropyl-phosphonic acid dibutyl ester | 919-21-1

• 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: isopropyl-phosphonic acid dibutyl ester
• 英文别名: Isopropyl-phosphonsaeure-dibutylester；Phosphonic acid, (1-methylethyl)-, dibutyl ester；1-[butoxy(propan-2-yl)phosphoryl]oxybutane
• CAS: 919-21-1
• 化学式: C₁₁H₂₅O₃P
• 分子量: 236.291
• InChiKey: VKCOKGXTJTZOOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isopropyl-phosphonic acid dibutyl ester 在 盐酸 作用下， 生成 异丙基磷酸
  参考文献：
  名称：

  Preparation and Determination of Apparent Dissociation Constants of Some Alkylphosphonic and Dialkylphosphinic Acids¹

  摘要：

  DOI：

  10.1021/ja01110a024
• 作为产物：
  描述：

  磷酸三丁酯 以 乙醚 为溶剂， 生成 isopropyl-phosphonic acid dibutyl ester
  参考文献：
  名称：

  转化指导原则

  摘要：

  DOI：

  10.1016/s0040-4039(00)95740-x

文献信息

• Phosphorus-containing hepatitis C serine protease inhibitors
  申请人：Moore Joel D.

  公开号：US20080039375A1

  公开（公告）日：2008-02-14

  The present invention relates to phosphorus-derived compounds of Formula I or Formula II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof, which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及式I或式II的磷衍生化合物，或其药用可接受的盐、酯或前药，这些化合物抑制丝氨酸蛋白酶活性，尤其是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且还用作抗病毒剂。本发明进一步涉及包含上述化合物的药物组合物，用于给患有HCV感染的主体进行管理。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗主体中的HCV感染的方法。
• NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF
  申请人：Frost Lisa M.

  公开号：US20090281062A1

  公开（公告）日：2009-11-12

  The invention relates to nitroso derivatives including carboxylic acid and phosphoric acid esters of hydroxy nitroso compounds that donate nitroxyl (HNO) under physiological conditions. The compounds and compositions of the invention are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure, ischemia/reperfusion injury and cancer.

  本发明涉及亚硝基衍生物，包括在生理条件下捐赠亚硝基（HNO）的羟基亚硝基化合物的羧酸和磷酸酯。发明中的化合物和组合物可用于治疗和/或预防对亚硝基疗法有响应的疾病或病症的发作和/或发展，包括心力衰竭、缺血/再灌注损伤和癌症。
• <i>p</i>-Toluenesulfonic Acid–Celite as a Reagent for Synthesis of Esters of Alkylphosphonic Acids under Solvent-Free Conditions
  作者：Arvind K. Gupta、Rajesh Kumar、Devendra K. Dubey、M.P. Kaushik

  DOI：10.3184/030823407x218066

  日期：2007.6

  The coupling reaction of alkylphosphonic acids and alcohols on the surface of p-toluenesulfonic acid–Celite under mild and solvent-free conditions gave the corresponding phosphonates in excellent yields. This method provides a useful rapid synthesis of phosphonates for use in the unambiguous identification of chemical warfare agents.

  在温和且无溶剂的条件下，烷基膦酸和醇在对甲苯磺酸-硅藻土表面的偶联反应以优异的产率得到相应的膦酸酯。该方法提供了一种有用的膦酸盐快速合成方法，可用于明确鉴定化学战剂。
• Fluorinated phosphorus compounds
  作者：Christopher M Timperley、John F Broderick、Ian Holden、Ian J Morton、Matthew J Waters

  DOI：10.1016/s0022-1139(00)00284-0

  日期：2000.10

  Twenty bis(fluoroalkyl) alkylphosphonates of structure (RFO)2P(O)R were prepared in 28–69% yields by treatment of alkylphosphonic dichlorides Cl2P(O)R [R=Me, Et, n-Pr, i-Pr] with fluoroalcohols RFOH [RF=CF3CH2, H(CF2)2CH2, C2F5CH2, C3H7CH2, (CF3)2CH] in diethyl ether in the presence of triethylamine. Reactions of isopropylphosphonic dichloride with two molar equivalents of alcohols and fluoroalcohols

  二十双（氟代烷基）结构的烷基膦酸酯（R ˚F O）2 P（O）R是在28-69％的收率由处理烷基膦二氯化物的Cl制备2 P（O）R [R =甲基，乙基，Ñ -Pr， i-Pr]与氟代醇R F OH [R F = CF 3 CH 2，H（CF 2）2 CH 2，C 2 F 5 CH 2，C 3 H 7 CH 2，（CF 3）2在乙醚中，在三乙胺的存在下，用CH 2 Cl]。比较了异丙基二氯化膦与两个摩尔当量的醇和氟代醇的反应。在室温下12小时后，醇EtOH，n -PrOH，i-PrOH和n - BuOH给出了单酯和二酯的混合物，但异丙醇除外，后者仅给出了单酯。由烷氧基取代基引起的电子和空间效应令人满意地说明了产物比率。使用氟代醇CF 3 CH 2 OH，C 2 F 5 CH 2 OH，C 3 F 7 CH 2 OH和（CF 3）2CHOH，二酯为主。在此，氟代烷氧基取代基的电子效应稳定了中间体phosphor烷，例如。Cl
• Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof
  申请人：CARDIOXYL PHARMACEUTICALS, INC.

  公开号：US20130045951A1

  公开（公告）日：2013-02-21

  The invention relates to nitroso derivatives including carboxylic acid and phosphoric acid esters of hydroxy nitroso compounds that donate nitroxyl (HNO) under physiological conditions. The compounds and compositions of the invention are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure, ischemia/reperfusion injury and cancer.

  本发明涉及一种亚硝基衍生物，包括羧酸和磷酸酯的羟基亚硝基化合物，可在生理条件下捐赠亚硝基（HNO）。该发明的化合物和组合物在治疗和/或预防对亚硝基疗法有反应的疾病或状况的发生和/或发展方面是有用的，包括心衰、缺血/再灌注损伤和癌症。