hexaisopropyl hexane-2,2,6-triphosphonate | 478007-44-2

• 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: hexaisopropyl hexane-2,2,6-triphosphonate
• 英文别名: 1,5,5-Tris[di(propan-2-yloxy)phosphoryl]hexane
• CAS: 478007-44-2
• 化学式: C₂₄H₅₃O₉P₃
• 分子量: 578.601
• InChiKey: XOOFDFJOYWSNJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  hexaisopropyl hexane-2,2,6-triphosphonate 在 盐酸 作用下， 反应 4.0h， 生成 hexane-2,2,6-triphosphonic acid
  参考文献：
  名称：

  Synthesis of New Polyphosphonic Acids

  摘要：

  A general method for the synthesis of new polyphosphonic acids is described. The hexaisopropyl alkane-1,1,n-triphosphonates (n = 4-5) are formed by the reaction of the salt of tetraisopropyl methylenediphosphonate with diisopropyl n-bromoalkanephosphonates (n = 3-4) while the hexaisopropyl alkane-2,2,n-triphosphonates (n = 5-6) are formed by the reaction of the salt of tetraisopropyl ethane-1,1-diphosphonate with diisopropyl n-bromoalkanephosphonates (n = 3-4). The esters are then hydrolyzed with HCl to give the corresponding phosphonic acids.

  DOI：

  10.1080/10426500210217
• 作为产物：
  描述：

  三异丙基亚磷酸酯 在 sodium 作用下， 以 甲苯 为溶剂， 反应 28.0h， 生成 hexaisopropyl hexane-2,2,6-triphosphonate
  参考文献：
  名称：

  Synthesis of New Polyphosphonic Acids

  摘要：

  A general method for the synthesis of new polyphosphonic acids is described. The hexaisopropyl alkane-1,1,n-triphosphonates (n = 4-5) are formed by the reaction of the salt of tetraisopropyl methylenediphosphonate with diisopropyl n-bromoalkanephosphonates (n = 3-4) while the hexaisopropyl alkane-2,2,n-triphosphonates (n = 5-6) are formed by the reaction of the salt of tetraisopropyl ethane-1,1-diphosphonate with diisopropyl n-bromoalkanephosphonates (n = 3-4). The esters are then hydrolyzed with HCl to give the corresponding phosphonic acids.

  DOI：

  10.1080/10426500210217

文献信息

• Polyphosphonic acids and derivatives thereof
  申请人：UNIVERSITE DE GENEVE

  公开号：EP1698357A1

  公开（公告）日：2006-09-06

  Compounds having phosphonic acid groups or a derivative thereof, corresponding to the general formula (I)          A-[P(O)(OH)2]p     (I), or a pharmaceutically acceptable derivative thereof, wherein A means a residue of a linear, branched or cyclic, saturated or unsaturated, hydrocarbon residue with n carbon atoms, whereby said residue may be substituted by hydroxyl and/or carboxyl and optionally further interrupted by one or more oxygen and/or sulphur and/or nitrogen atoms, carrying p phosphonic acid groups, wherein n is a number from 4 to 70, and p is 3, 4, 5 or 6, are especially suitable to treat surfaces of Endosseous implants to be applied to a human or animal bone to improve osseointegration.

  具有与通式（I）相对应的膦酸基团或其衍生物的化合物 A-[P(O)(OH)2]p (I)、 或其药学上可接受的衍生物，其中 A 指具有 n 个碳原子的线性、支链或环状、饱和或不饱和烃残基，所述残基可被羟基和/或羧基取代，并可选择进一步被一个或多个氧和/或硫和/或氮原子打断、含有 p 个膦酸基团，其中 n 为 4 至 70 之间的数字，p 为 3、4、5 或 6，特别适用于处理应用于人类或动物骨骼的骨内植体表面，以改善骨结合。
• ENDOSSEOUS IMPLANT
  申请人：UNIVERSITE DE GENEVE

  公开号：EP1343545B1

  公开（公告）日：2006-07-05
• POLYPHOSPHONIC ACIDS AND DERIVATIVES THEREOF
  申请人：UNIVERSITE DE GENEVE

  公开号：EP1698357B1

  公开（公告）日：2019-06-26
• Endosseous implant
  申请人：——

  公开号：US20040049287A1

  公开（公告）日：2004-03-11

  Endosseous implant to be applied to human or animal bone, said implant having a surface made from a selected metal or a selected metal alloy or a ceramic, whereby said resp, metal alloy is selected from chromium, niobium, tantalum, vanadium, zirconium, aluminium, cobalt, nickel, stainless steels or an alloy thereof, said surface having a smooth or rough texture, characterized in that said surface has been treated with at least one pharmaceutically acceptable organic compound carrying at least one phosphonic acid group or a derivative thereof preferably acceptable salt or ester or amid thereof and method for producing said implant.
• US7090496B2
  申请人：——

  公开号：US7090496B2

  公开（公告）日：2006-08-15