diisopropyl 3-nitrophenylphosphonate | 88618-52-4

• 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: diisopropyl 3-nitrophenylphosphonate
• 英文别名: 3-Nitro-phenylphosphonsaeure-diisopropylester；Dipropan-2-yl(3-nitrophenyl)phosphonate；1-di(propan-2-yloxy)phosphoryl-3-nitrobenzene
• CAS: 88618-52-4
• 化学式: C₁₂H₁₈NO₅P
• 分子量: 287.252
• InChiKey: LIQHFAYQDSHBAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diisopropyl 3-nitrophenylphosphonate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 diisopropyl 3-aminophenylphosphonate
  参考文献：
  名称：

  Phosphorus analogs of .gamma.-aminobutyric acid, a new class of anticonvulsants

  摘要：

  A series of phosphorus compounds, designed as analogues of gamma-aminobutyric acid (GABA) in that they possess a P = O moiety separated by three atoms from an amino or acetamido group, was synthesized and tested by using in vitro GABAA and GABAB receptor binding, GABA uptake assays, and was examined for anticonvulsant activity. Weak GABAB receptor affinity was noted for one agent, whereas six compounds displayed moderate to high potencies as inhibitors of electroshock- and pentylenetetrazol-induced seizures. The best anticonvulsant effect was found with the (m-aminophenyl) phosphinic acid compounds, with members of this class selected for further study.

  DOI：

  10.1021/jm00371a017
• 作为产物：
  描述：

  3-硝基苯磺酸 在 五氯化磷 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 diisopropyl 3-nitrophenylphosphonate
  参考文献：
  名称：

  Phosphorus analogs of .gamma.-aminobutyric acid, a new class of anticonvulsants

  摘要：

  A series of phosphorus compounds, designed as analogues of gamma-aminobutyric acid (GABA) in that they possess a P = O moiety separated by three atoms from an amino or acetamido group, was synthesized and tested by using in vitro GABAA and GABAB receptor binding, GABA uptake assays, and was examined for anticonvulsant activity. Weak GABAB receptor affinity was noted for one agent, whereas six compounds displayed moderate to high potencies as inhibitors of electroshock- and pentylenetetrazol-induced seizures. The best anticonvulsant effect was found with the (m-aminophenyl) phosphinic acid compounds, with members of this class selected for further study.

  DOI：

  10.1021/jm00371a017

文献信息

• Cobalt Catalyzed C-P Bond Formation by Cross-Coupling of Boronic Acids with P(O)H Compounds in Presence of Zinc
  作者：Ian Hicks、Jonathan McTague、Tatiana Hapatsha、Rania Teriak、Parminder Kaur

  DOI：10.3390/molecules25020290

  日期：——

  In our current work, we have reported the first cobalt-catalyzed cross-coupling of arylboronic acid with alkyl/aryl phosphites under mild conditions. The reaction was carried out in the presence of zinc powder as an additive and ter-pyridine as a ligand. The use of non-precious cobalt salt makes the protocol advantageous, as it is inexpensive and more abundant than the previously used methods where

  在我们目前的工作中，我们报道了在温和条件下首次钴催化芳基硼酸与烷基/芳基亚磷酸酯的交叉偶联。该反应在锌粉作为添加剂和三联吡啶作为配位体的存在下进行。非贵金属钴盐的使用使该协议具有优势，因为它比以前使用的贵金属盐（Pd 和 Pt）的方法便宜且丰富。该反应底物范围广，产物收率良好。
• AMINO PYRIMIDINE ANTICANCER COMPOUNDS
  申请人：APPARI Rama Devi

  公开号：US20110136764A1

  公开（公告）日：2011-06-09

  Compounds of Formula 1, as shown below and defined herein: and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancers mediated at least in part by FAK.

  以下为化学式1的化合物，本文中定义：以及其药学上可接受的盐、合成、中间体、制剂和治疗该疾病的方法，包括至少部分由FAK介导的癌症。
• Amino pyrimidine anticancer compounds
  申请人：Appari Rama Devi

  公开号：US08399433B2

  公开（公告）日：2013-03-19

  Compounds of Formula 1, as shown below and defined herein: and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancers mediated at least in part by FAK.

  以下式子所示的化合物1及其药学上可接受的盐，合成、中间体、制剂和使用它们治疗疾病的方法，包括至少部分由FAK介导的癌症的治疗方法。
• Organophosphorus compounds and a pharmaceutical composition containing same
  申请人：Research Corporation

  公开号：EP0159636A1

  公开（公告）日：1985-10-30

  Organophosphorus compounds having the general structure: wherein R is alkyl, X is O or S, Y is O or S, n is an integer from 0 to 1, R1, R2 and R3 are selected from the group consisting of NH2 and wherein R4 ist alkyl, with the proviso that only one of R1, R2 and R3 can be NH2 or and with the further proviso that when n is 1, R1 or R2 or R3 is and a pharmaceutical composition containing said components and a pharmaceutically acceptable carrier.

  具有一般结构的有机磷化合物： 其中 R 为烷基，X 为 O 或 S，Y 为 O 或 S，n 为 0 至 1 的整数，R1、R2 和 R3 选自 NH2 和 NH4 组成的组。 其中 R4 是烷基，但 R1、R2 和 R3 中只能有一个是 NH2 或 NH3。 当 n 为 1 时，R1 或 R2 或 R3 为烷基。 以及含有上述成分和药学上可接受的载体的药物组合物。
• US4591582A
  申请人：——

  公开号：US4591582A

  公开（公告）日：1986-05-27