tetraethyl 4-amino-1-decyloxybutylene-1,1-bisphosphonate | 1042066-47-6

• 英文名称: tetraethyl 4-amino-1-decyloxybutylene-1,1-bisphosphonate
• CAS: 1042066-47-6
• 化学式: C₂₂H₄₉NO₇P₂
• 分子量: 501.581
• InChiKey: KVSDOUXUCLHSAH-UHFFFAOYSA-N

物化性质

• 沸点：
  563.3±50.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  32.0
• 可旋转键数：
  23.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  106.31
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  tetraethyl 4-amino-1-decyloxybutylene-1,1-bisphosphonate 在 三甲基溴硅烷 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以80%的产率得到4-amino-1-decyloxybutylene-1,1-bisphosphonic acid
  参考文献：
  名称：

  Synthesis of functionalized alkoxyalkylidene gem-bisphosphonates

  摘要：

  We report the synthesis of a series of new functionalized bisphosphonates and bisphosphonic acids with an alkoxy group fixed at the geminal carbon, which is proposed to increase their lipophilicity and so their bioavailability. Subsequently, the alkylation of these alkoxy bisphosphonates with allyl bromide is reported. The reactivity of the allyl group has been studied to give access to alkoxy bisphosphonates functionalized by diverse groups including alcohol, aldehyde, carboxylic acid, epoxide and amine. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.052
• 作为产物：
  描述：

  tetraethyl 4-azido-1-decyloxybutylene-1,1-bisphosphonate 在 三苯基膦 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 tetraethyl 4-amino-1-decyloxybutylene-1,1-bisphosphonate
  参考文献：
  名称：

  Synthesis of functionalized alkoxyalkylidene gem-bisphosphonates

  摘要：

  We report the synthesis of a series of new functionalized bisphosphonates and bisphosphonic acids with an alkoxy group fixed at the geminal carbon, which is proposed to increase their lipophilicity and so their bioavailability. Subsequently, the alkylation of these alkoxy bisphosphonates with allyl bromide is reported. The reactivity of the allyl group has been studied to give access to alkoxy bisphosphonates functionalized by diverse groups including alcohol, aldehyde, carboxylic acid, epoxide and amine. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.052