1,1,1-trifluoro-N-(4-methoxyphenyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide | 52331-18-7

• 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: 1,1,1-trifluoro-N-(4-methoxyphenyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
• 英文别名: N,N-Bis(triflurmethylsulfonyl)-p-methoxyanilin；N,N-bis(trifluoromethylsulphonyl)-4-anisidine；1,1,1-trifluoro-N-(4-methoxyphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
• CAS: 52331-18-7
• 化学式: C₉H₇F₆NO₅S₂
• 分子量: 387.281
• InChiKey: HQVTYXJWLAQEET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97.5
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-N-(4-methoxyphenyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide 、 3-溴-4-羟基-5-甲氧基苯甲酸甲酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以95.5%的产率得到methyl 3-bromo-5-methoxy-4-(((trifluoromethyl)sulfonyl)oxy)benzoate
  参考文献：
  名称：

  [EN] Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY
  [FR] INHIBITEUR DE BTK AYANT UNE DOUBLE SÉLECTIVITÉ AMÉLIORÉE

  摘要：

  本文披露了一种具有改进的双重选择性的三取代苯基Btk抑制剂，以及用于抑制Btk和治疗与不良Btk活性相关的疾病（Btk相关疾病）的方法和组合物。

  公开号：

  WO2019034009A1
• 作为产物：
  描述：

  三氟甲磺酸酐 、 甲氧苯胺 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 2.5h， 生成 1,1,1-trifluoro-N-(4-methoxyphenyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
  参考文献：
  名称：

  One-Step Conversion of Azine N-Oxides to α-N-Aryltriflamidoazines

  摘要：

  Various pyridine, quinoline, isoquinoline, and pyrimidine N-oxides were converted to their corresponding alpha-N-aryltriflamidoheteroarenes in good yield by treatment with N-aryltriflimides, both neat and in solution, at temperatures ranging from rt to 100 degrees C.

  DOI：

  10.1021/jo302014c

文献信息

• A CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE
  申请人：Petrochina Company Limited

  公开号：EP2345675A1

  公开（公告）日：2011-07-20

  A catalyst for homopolymerizing and copolymerizing propylene and its preparation and use. The catalyst component includes titanium compound containing at least one Ti-halogen bond and at least two kinds of electron donor compounds A and B supported on MgCl2.nROH adduct, wherein the electron donor compound A is a compound of formula (I), the electron donor compound B is ester or ether compound; the molar ratio between compound A and compound B is 0.1-5; the molar ratio between the total amounts of the two kinds of electron donors and MgCl2.nROH is 0.01-1, based on the amount of MgCl2.nROH; and the molar ration between the titanium compound containing Ti-halogen bond and MgCl2.nROH is 1-200. The catalyst has high activity high stereospecificity and good copolymerization performance. In addition, the morphology of the polymer obtained therefrom is good.

  一种用于均聚和共聚丙烯的催化剂及其制备和使用方法。催化剂组分包括含有至少一个钛卤键的钛化合物和至少两种支撑在 MgCl2.nROH 加合物上的电子供体化合物 A 和 B，其中电子供体化合物 A 为式（I）化合物，电子供体化合物 B 为酯或醚化合物；化合物 A 和化合物 B 的摩尔比为 0.1-5；以MgCl2.nROH的量计，两种电子供体与MgCl2.nROH总量的摩尔比为0.01-1；含Ti-卤素键的钛化合物与MgCl2.nROH的摩尔比为1-200。该催化剂具有高活性、高立体特异性和良好的共聚性能。此外，由此获得的聚合物的形态也很好。
• BTK inhibitors with improved dual selectivity
  申请人：BEIGENE, LTD.

  公开号：US11377449B2

  公开（公告）日：2022-07-05

  Disclosed herein is a tri-substituted phenyl Btk inhibitors with improved dual selectivity, a method and a composition for inhibiting Btk and treating disease associated with undesirable Btk activity (Btk-related diseases).

  本文公开了一种具有改进的双选择性的三取代苯基 Btk 抑制剂、一种用于抑制 Btk 和治疗与不良 Btk 活性有关的疾病（Btk 相关疾病）的方法和组合物。
• Yagupol'skii, L. M.; Gandel'sman, L. Z.; Nazaretyan, V. P., Zhurnal Organicheskoi Khimii, 1974, vol. 10, p. 901 - 902
  作者：Yagupol'skii, L. M.、Gandel'sman, L. Z.、Nazaretyan, V. P.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.3, 6.2.3.4, page 152 - 186
  作者：

  DOI：——

  日期：——
• <i>N</i>-(Trifluoromethylsulfonyl)aryloxytrifluoromethylsulfoximines [ArO−SO(CF₃)NTf] and <i>N</i>-Aryltriflimides Ar−N(Tf)₂ by Thermal and Photolytic Dediazoniation of [ArN₂][BF₄] in [BMIM][Tf₂N] Ionic Liquid:  Exploiting the Ambident Nucleophilic Character of a “Nonnucleophilic” Anion
  作者：Kenneth K. Laali、Takao Okazaki、Scott D. Bunge

  DOI：10.1021/jo0708801

  日期：2007.8.31

  Arenediazonium tetrafluoroborate salts undergo metathesis on immobilization in 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonato)amide [BMIM][Tf2N]. The "noncoordinating", "nonnucleophilic" [Tf2N] anion acts as an ambident nucleophile toward the aryl cations, formed via thermal dediazoniation, to give predominantly the oxy anion quenching products [ArO-SO(CF3)NTf], with minimal formation of ArN(Tf)(2), irrespective of the nature of the substituent(s) on the ArN2+. Strong preference for the formation of oxygen trapping products did not change under photolytic conditions, where dediazoniation occurs at room temperature. A minimal amount of the Schiemann product ArF is also formed in both thermal and photolytic dediazoniation, depending on the substituent(s). Progress of dediazoniation in the IL (both thermal and photolytic) and the evolution of the products were directly monitored by H-1 and F-19 NMR. According to DFT (Density Functional Theory) calculations, PhN(Tf)(2) is more stable than PhO-SO(CF3)NTf by 15-17 kcal/mol, depending on the basis set. Inclusion of solvation effects (PCM, with acetone and with CH2ClCH2Cl as solvent) did not change this preference. The [ArN2][BF4] dediazoniation in [BMIM][Tf2N] resulted in synthesis and characterization of a series of hitherto unknown [ArO-SO(CF3)NTf] compounds. The X-ray structure of MesO-SO(CF3)NTf (Mes = mesityl) is reported. On the basis of extraction studies, suitable solvent systems have been identified that remove the products without dissolving [BMIM][NTf2], thus overcoming product recovery difficulties typically associated with the use of this IL.