tetraethyl (5-oxopentylidene)bisphosphonate | 455331-38-1

• 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: tetraethyl (5-oxopentylidene)bisphosphonate
• 英文别名: tetraethyl 5-oxopentylene-1,1-bisphosphonate；5,5-Bis(diethoxyphosphoryl)pentanal
• CAS: 455331-38-1
• 化学式: C₁₃H₂₈O₇P₂
• 分子量: 358.309
• InChiKey: ATXGDRNQOJFENA-UHFFFAOYSA-N

物化性质

• 沸点：
  453.8±40.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tetraethyl (5-oxopentylidene)bisphosphonate 在 三甲基溴硅烷 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 124.0h， 生成 [5-[2-[Bis[2-(5,5-diphosphonopentylamino)ethyl]amino]ethylamino]-1-phosphonopentyl]phosphonic acid
  参考文献：
  名称：

  Synthesis of novel phosphonated tripodal ligands for actinides chelation therapy

  摘要：

  Efficient synthetic routes for preparation of a new family of aldehyde-bisphosphonate conjugates were presented. These compounds appeared as promising intermediates for incorporation of bisphosphonate moiety in various substrates under mild conditions. We report here a first application to the synthesis of a series of three phosphonated tripods designed for actinides chelation therapy. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.094
• 作为产物：
  描述：

  tetraethyl (5-hydroxypentylidene)bisphosphonate 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到tetraethyl (5-oxopentylidene)bisphosphonate
  参考文献：
  名称：

  [EN] PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS
  [FR] RIFAMYCINES PHOSPHONÉES ET LEURS UTILISATIONS POUR LA PRÉVENTION ET LE TRAITEMENT D'INFECTIONS DES OS ET DES ARTICULATIONS

  摘要：

  公开号：

  WO2010019511A3

文献信息

• Michael addition of Grignard reagents to tetraethyl ethenylidenebisphosphonate
  作者：Marco L Lolli、Loretta Lazzarato、Antonella Di Stilo、Roberta Fruttero、Alberto Gasco

  DOI：10.1016/s0022-328x(02)01179-8

  日期：2002.5

  Tetraethyl ethenylidenebisphosphonate can undergo facile Michael type addition reaction with simple Grignard reagents to give alkyl, arylalkyl, aryl C-substituted methylene bisphosphonates. This addition easily occurs even if funtionalised Grignard reagents are used.

  乙撑亚乙基双膦酸酯四乙酯可以与简单的格氏试剂进行容易的迈克尔型加成反应，得到烷基，芳基烷基，芳基C-取代的亚甲基双膦酸酯。即使使用功能化的格氏试剂，这种添加也很容易发生。
• PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS
  申请人：Dietrich Evelyne

  公开号：US20110178001A1

  公开（公告）日：2011-07-21

  The present invention relates to phosphonated Rifamycins, and methods of making and using such compounds. These compounds are useful as antibiotics for prophylaxis and/or the treatment of bone and joint infections, especially for the prophylaxis and/or treatment of osteomyelitis.

  本发明涉及磷酸化利福霉素，以及制备和使用这些化合物的方法。这些化合物可用作抗生素，用于预防和/或治疗骨骼和关节感染，特别是用于预防和/或治疗骨髓炎。
• US8524691B2
  申请人：——

  公开号：US8524691B2

  公开（公告）日：2013-09-03
• Synthesis of novel phosphonated tripodal ligands for actinides chelation therapy
  作者：Vincent Chaleix、Marc Lecouvey

  DOI：10.1016/j.tetlet.2006.11.094

  日期：2007.1

  Efficient synthetic routes for preparation of a new family of aldehyde-bisphosphonate conjugates were presented. These compounds appeared as promising intermediates for incorporation of bisphosphonate moiety in various substrates under mild conditions. We report here a first application to the synthesis of a series of three phosphonated tripods designed for actinides chelation therapy. (c) 2006 Elsevier Ltd. All rights reserved.
• [EN] PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS<br/>[FR] RIFAMYCINES PHOSPHONÉES ET LEURS UTILISATIONS POUR LA PRÉVENTION ET LE TRAITEMENT D'INFECTIONS DES OS ET DES ARTICULATIONS
  申请人：DIETRICH EVELYNE

  公开号：WO2010019511A3

  公开（公告）日：2010-06-24