tetraethyl (sulfonylbis{4,1-phenyleneimino[(3-nitrophenyl)methylene]})bis(phosphonate) | 1448137-82-3

• 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: tetraethyl (sulfonylbis{4,1-phenyleneimino[(3-nitrophenyl)methylene]})bis(phosphonate)
• 英文别名: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-[4-[[diethoxyphosphoryl-(3-nitrophenyl)methyl]amino]phenyl]sulfonylaniline
• CAS: 1448137-82-3
• 化学式: C₃₄H₄₀N₄O₁₂P₂S
• 分子量: 790.725
• InChiKey: PGYSCKVIBHNGPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  53
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  229
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  间硝基苯甲醛 、 亚磷酸二乙酯 、 氨苯砜 在 CeCl₃·7H₂O-SiO₂ 作用下， 以 neat liquid 为溶剂， 反应 0.07h， 以96%的产率得到tetraethyl (sulfonylbis{4,1-phenyleneimino[(3-nitrophenyl)methylene]})bis(phosphonate)
  参考文献：
  名称：

  CeCl3·7H2O-SiO2: Catalyst promoted microwave assisted neat synthesis, antifungal and antioxidant activities of α-diaminophosphonates

  摘要：

  CeCl3 center dot 7H(2)O supported on silica (CeCl3 center dot 7H(2)O-SiO2) is used as a heterogeneous, efficient and recyclable catalyst for a three component one-pot reaction of an amine, aldehydes and diethyl phosphite to synthesize alpha-diaminophosphonate derivatives under microwave irradiation exploiting neat reaction conditions. Ten alpha-diaminophosphonates (6a-j) of 4,4'-sulfonyldianiline (Dapsone) (3) were synthesized and structural elucidation was confirmed by spectral data. Antifungal and antioxidant activities were evaluated include minimum inhibitory concentrations and IC50 values, respectively of the titled compounds. Compounds 6h, 6i exhibited promising antioxidant activity at lower IC50 values 53.7 mu g/mL, 53.2 mu g/mL, respectively as compared with standard IC50 value 51.6 mu g/mL. (C) 2013 Srinivasulu Doddaga. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.04.037

文献信息

• CeCl3·7H2O-SiO2: Catalyst promoted microwave assisted neat synthesis, antifungal and antioxidant activities of α-diaminophosphonates
  作者：Subba Rao Devineni、Srinivasulu Doddaga、Rajasekhar Donka、Naga Raju Chamarthi

  DOI：10.1016/j.cclet.2013.04.037

  日期：2013.8

  CeCl3 center dot 7H(2)O supported on silica (CeCl3 center dot 7H(2)O-SiO2) is used as a heterogeneous, efficient and recyclable catalyst for a three component one-pot reaction of an amine, aldehydes and diethyl phosphite to synthesize alpha-diaminophosphonate derivatives under microwave irradiation exploiting neat reaction conditions. Ten alpha-diaminophosphonates (6a-j) of 4,4'-sulfonyldianiline (Dapsone) (3) were synthesized and structural elucidation was confirmed by spectral data. Antifungal and antioxidant activities were evaluated include minimum inhibitory concentrations and IC50 values, respectively of the titled compounds. Compounds 6h, 6i exhibited promising antioxidant activity at lower IC50 values 53.7 mu g/mL, 53.2 mu g/mL, respectively as compared with standard IC50 value 51.6 mu g/mL. (C) 2013 Srinivasulu Doddaga. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.