(2-methoxyphenyl)(4-nitrophenyl)sulfane | 73015-47-1

• 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-methoxyphenyl)(4-nitrophenyl)sulfane
• 英文别名: 2-methoxyphenyl 4-nitrophenyl sulfone；2-methoxy-4'-nitrodiphenylsulfone；1-Methoxy-2-(4-nitrophenyl)sulfonylbenzene
• CAS: 73015-47-1
• 化学式: C₁₃H₁₁NO₅S
• 分子量: 293.3
• InChiKey: CBMHBKBRVPCOBU-UHFFFAOYSA-N

物化性质

• 沸点：
  500.0±35.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-methoxyphenyl)(4-nitrophenyl)sulfane 在 甲醇 、 tin(ll) chloride 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-((2-methoxyphenyl)sulfonyl)phenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  [EN] MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO
  [FR] THÉRAPEUTIQUE DES MYXOVIRUS, COMPOSÉS ET UTILISATIONS S'Y RAPPORTANT

  摘要：

  本公开涉及此处披露的抗病毒化合物及其相关用途。在某些实施例中，该公开涉及药物组合物。通常，药物组合物包括式I的化合物：式I，或其盐、前药或酯，其中X、Y、以及R1和R10到R13如本文所述。

  公开号：

  WO2013063012A1
• 作为产物：
  描述：

  2-甲氧基苯硫酚 在 双氧水 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 (2-methoxyphenyl)(4-nitrophenyl)sulfane
  参考文献：
  名称：

  Bulgarevich, S. B.; Movshovich, D. Ya.; Ivanova, N. A., Russian Journal of General Chemistry, 1993, vol. 63, # 3.1, p. 379 - 387

  摘要：

  DOI：

文献信息

• Therapeutic amides
  申请人：Imperial Chemical Industries PLC

  公开号：US05272163A1

  公开（公告）日：1993-12-21

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the amides and pharmaceutical compositions containing them.

  酰胺具有以下化学式I：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和在体内可水解的酯，可用于治疗尿失禁。还提供了制备这些酰胺的方法和含有它们的药物组合物。
• Chloroaluminate Ionic Liquid Immobilized on Magnetic Nanoparticles as a Heterogeneous Lewis Acidic Catalyst for the Friedel–Crafts Sulfonylation of Aromatic Compounds
  作者：Ngoc-Lan Thi Nguyen、Quoc-Anh Nguyen、Tien Khoa Le、Thi Xuan Thi Luu、Kim-Ngan Thi Tran、Phuoc-Bao Pham

  DOI：10.3390/molecules27051644

  日期：——

  Chloroaluminate ionic liquid bound on magnetic nanoparticles (Fe3O4@O2Si[PrMIM]Cl·AlCl3) was prepared and used as a heterogenous Lewis acidic catalyst for the Friedel–Crafts sulfonylation of aromatic compounds with sulfonyl chlorides or p-toluenesulfonic anhydride. The catalyst’s stability, efficiency, easy recovery, and high recyclability without considerable loss of catalytic capability after four recycles

  制备了结合在磁性纳米颗粒上的氯铝酸盐离子液体（Fe3O4@O2Si[PrMIM]Cl·AlCl3），并将其用作多相路易斯酸性催化剂，用于芳族化合物与磺酰氯或对甲苯磺酸酐的傅克磺酰化反应。该催化剂的稳定性、效率、易回收性和高可循环性在四次循环后催化能力没有明显损失是其优势的证明。此外，化学计量比、底物范围广、反应时间短、砜类收率高和无溶剂反应条件也使该方法实用、环保和经济。
• Non-nucleoside Inhibitors of the Measles Virus RNA-Dependent RNA Polymerase: Synthesis, Structure–Activity Relationships, and Pharmacokinetics
  作者：J. Maina Ndungu、Stefanie A. Krumm、Dan Yan、Richard F. Arrendale、G. Prabhakar Reddy、Taylor Evers、Randy Howard、Michael G. Natchus、Manohar T. Saindane、Dennis C. Liotta、Richard K. Plemper、James P. Snyder、Aiming Sun

  DOI：10.1021/jm201699w

  日期：2012.5.10

  The measles virus (MeV), a member of the paramyxovirus family, is an important cause of pediatric morbidity and mortality worldwide. In an effort to provide therapeutic treatments for improved measles management, we previously identified a small, non-nucleoside organic inhibitor of the viral RNA-dependent RNA polymerase by means of high-throughput screening. Subsequent structure-activity relationship (SAR) studies around the corresponding pyrazole carboxamide scaffold led to the discovery of 2 (AS-136a), a first generation lead with low nanomolar potency against life MeV and attractive physical properties suitable for development. However, its poor water solubility and low oral bioavailability (F) in rat suggested that the lead could benefit from further SAR studies to improve the biophysical characteristics of the compound. Optimization of in vitro potency and aqueous solubility led to the discovery of 2o (ERDRP-00519), a potent inhibitor of MeV (EC50 = 60 nM) with an aqueous solubility of approximately 60 mu g/mL. The agent shows a 10-fold exposure (AUC/C-max) increase in the rat model relative to 2, displays near dose proportionality in the range of 10-50 mg/kg and exhibits good oral bioavailability (F = 39%). The significant solubility increase appears linked to the improved oral bioavailability.
• Reactions of 4-Nitrophenyl-Substituted-Phenyl-Sulfones with Elemental Sulfur in Liquid Ammonia: One-Pot Synthesis of Ammonium Arenethiosulfonates from Aromatic Nitro Sulfones
  作者：Ryu Sato、Tatsumi Etchu、Yuji Takikawa、Saburo Takizawa、Minoru Saito

  DOI：10.1055/s-1981-29327

  日期：——
• Conformational investigation of diarylsulphones by Kerr effect and dipole moment methods
  作者：S.B. Bulgarevich、D.Ya. Movshovich、N.A. Ivanova、S.E. Filippov、P. Finocchiaro、S. Failla

  DOI：10.1016/0022-2860(91)85080-m

  日期：1991.9

  Molar Kerr constants and electric dipole moments are reported for (C6H5)2SO2, (4-Cl-C6H4) (C6H5)SO2, (2,4,6-Me3C6H2) (4'-BrC6H4)SO2, (4-NO2C6H4)2SO2, (4-MeOC6H4) (4'-NO2C6H4)SO2, (2-MeOC6H4) (4'-NO2C6H4)SO2, (2-NO2C6H4) (4'-MeOC6H4)SO2 and (2-MeOC6H4) (2'-NO2C6H4)SO2 as solutes in dioxane solution at 298 K. The data are analysed in terms of the preferred conformations adopted in solution. In most cases these data are consistent with the presence, in dioxane, of orthogonal or planar-orthogonal conformers, or of a mixture of them. In the orthogonal rotamer both aromatic rings are approximately perpendicular to the C(Ar-) S-C(Ar) molecular reference plane whereas in the planar-orthogonal conformer one ring is coplanar and the other is orthogonal to the reference C(Ar)-S-C(Ar) plane.