2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-(3-nitrophenyl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide | 1030895-01-2

• 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: 2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-(3-nitrophenyl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
• 英文别名: 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-(3-nitrophenyl)methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• CAS: 1030895-01-2
• 化学式: C₁₇H₂₅NO₈P₂
• 分子量: 433.335
• InChiKey: QOHDCISXZMOCSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  以 苯 为溶剂， 反应 4.0h， 生成 2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-(3-nitrophenyl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
  参考文献：
  名称：

  Synthesis and anticancer activity of new class of bisphosphonates/phosphanamidates

  摘要：

  Novel bis-heterocyclic bisphosphonates/phosphonamidates were synthesized utilizing the Pudovick reaction. The employment Of Nb2O5 as catalyst was found to increase the yields and purity of the bisbenzoxazaphosphine derivatives (13a-h). Their anticancer activity studies in vitro, on three human tumor cell lines NCI-H460 (lung large cell), MCF-7 (breast adenocarcinoma), and SF-268 (central nervous system glioblastoma), showed that bis-[3-(3-chloro-4-fluorophenyl)-2-oxo-3,4-dihydro-2H-2 lambda(5)-benzo[e][1,3,2]oxazaphosphinin-2-yl]arylmethanes (13a-h) and [(4-chlorophenyl)-(hydroxyamidophosphinoyl)-methyl]phosphonic acid (14) exhibited significant anticancer activity. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.014