3,4,5-trimethyl triflate | 357193-27-2

• 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: 3,4,5-trimethyl triflate
• 英文别名: (3,4,5-trimethylphenyl)trifluoromethanesulfonate；(3,4,5-trimethylphenyl)triflate；trifluoromethanesulfonic acid 3,4,5-trimethylphenyl ester；(3,4,5-trimethylphenyl) trifluoromethanesulfonate
• CAS: 357193-27-2
• 化学式: C₁₀H₁₁F₃O₃S
• 分子量: 268.257
• InChiKey: DQYQWFAVTBWVSO-UHFFFAOYSA-N

物化性质

• 沸点：
  310.1±42.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,4,5-trimethyl triflate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 2-二叔丁基膦-2′,4′,6′-三异丙基-3,6-二甲氧基-1,1′-联苯 、 tris(3,5-dioxaheptyl)amine 、 sodium nitrite 作用下， 以 叔丁醇 为溶剂， 反应 24.0h， 以95%的产率得到1,2,3-三甲基-5-硝基-苯
  参考文献：
  名称：

  Pd-Catalyzed Conversion of Aryl Chlorides, Triflates, and Nonaflates to Nitroaromatics

  摘要：

  An efficient Pd catalyst for the transformation of aryl chlorides, triflates, and nonaflates to nitroaromatics has been developed. This reaction proceeds under weakly basic conditions and displays a broad scope and excellent functional group compatibility. Moreover, this method allows for the synthesis of aromatic nitro compounds that cannot be accessed efficiently via other nitration protocols. Mechanistic insight into the transmetalation step of the catalytic process is also reported.

  DOI：

  10.1021/ja905768k
• 作为产物：
  描述：

  三氟甲磺酸酐 、 3,4,5-三甲基苯酚 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到3,4,5-trimethyl triflate
  参考文献：
  名称：

  通过芳香族 Pauson-Khand 环负载管的光化学研究应变菲的螺旋阻转异构体

  摘要：

  制备了双（3,5-二甲基苯基）乙炔和双（3,4,5-三甲基苯基）乙炔的降冰片烯和降冰片二烯 Pauson-Khand 加合物。在降冰片烯衍生物的情况下，将这些化合物进行光化学6π-电环氧化芳构化反应以令人满意的产率得到相应的菲化合物。由于非平面螺旋菲结构，在芳环上的 3 位和 5 位甲基施加的螺旋扭曲导致了两种阻转异构体。这些阻转异构体的分子结构和构象稳定性通过 X 射线晶体学和变温 NMR 研究进行了检查。

  DOI：

  10.1002/ejoc.201200735

文献信息

• [EN] PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE<br/>[FR] DÉRIVÉS DE PYRIMIDONE ET LEUR UTILISATION DANS LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION D'UNE MALADIE VIRALE
  申请人：SAVIRA PHARMACEUTICALS GMBH

  公开号：WO2017158151A1

  公开（公告）日：2017-09-21

  The present invention relates to a compound having the general formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease, in particular influenza.

  本发明涉及具有通式（I）的化合物，可选地为药学上可接受的盐、溶剂合物、多晶形、共药、共晶体、前药、互变异构体、消旋体、对映体或二对映体或其混合物，用于治疗、改善或预防病毒性疾病，特别是流感。
• A new entry to phenanthridine ring systems via sequential application of Suzuki and the modified Pictet–Spengler reactions
  作者：Anil K. Mandadapu、Mohammad Saifuddin、Piyush K. Agarwal、Bijoy Kundu

  DOI：10.1039/b905696c

  日期：——

  A mild, efficient and versatile method has been developed for the two step synthesis of phenanthridine ring systems using the Suzuki and the modified Pictet–Spengler strategy. The strategy involves synthesis of a substrate in which an aryl amine is tethered to an activated arene ring at the carbon ortho to the activated carbon nucleophile so as to facilitate the formation of phenanthridine ring viaπ-cyclization.

  开发了一种温和、高效且多用途的两步合成菲啶环体系的方法，采用了铃木反应和改良的皮克特-斯彭格勒策略。该策略涉及合成一种底物，其中芳胺通过与活化碳亲核试剂邻位的碳原子连接到活化芳环上，以便通过π环化促进菲啶环的形成。
• A Modular Synthetic Approach to Monocyclic 1,4‐Azaborines
  作者：Xuguang Liu、Yuanzhe Zhang、Bo Li、Lev N. Zakharov、Monica Vasiliu、David A. Dixon、Shih‐Yuan Liu

  DOI：10.1002/anie.201602840

  日期：2016.7.11

  A simple and general method for the synthesis of a wide range of monocyclic 1,4‐azaborines, including the first examples containing B heteroatoms is described. Post‐heterocycle‐formation olefin isomerization was employed as a key strategy. This new synthetic method provides fundamental insight into the resonance stabilization and photophysical properties of 1,4‐azaborines.

  描述了一种简单且通用的合成各种单环1,4-氮杂aborine的方法，包括第一个包含B杂原子的实例。杂环形成后的烯烃异构化被用作关键策略。这种新的合成方法提供了对1,4-氮杂双胺的共振稳定性和光物理性质的基本了解。
• PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS
  申请人：Baroudy Bahige M.

  公开号：US20080188485A1

  公开（公告）日：2008-08-07

  The use of CCR 5 antagonists of the formula or a pharmaceutically acceptable salt thereof, wherein R is optionally substituted phenyl, pyridyl, thiophenyl or naphthyl; R 1 is hydrogen or alkyl; R 2 is substituted phenyl, substituted heteroaryl, naphthyl fluorenyl, diphenylmethyl or optionally substituted phenyl- or heteroarylalkyl; R 3 is hydrogen, alkyl, alkoxyalkyl, cycloalkyl, cycloalkylalkyl, or optionally substituted phenyl, phenylalkyl, naphthyl, naphthylalkyl, heteroaryl or heteroarylalkyl; R 4 , R 5 and R 7 are hydrogen or alkyl; R 6 is hydrogen, alkyl or alkenyl; for the treatment of HIV, solid organ transplant rejection, graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis is disclosed, as well as novel compounds, pharmaceutical compositions comprising them, and the combination of CCR5 antagonists of the invention in combination with antiviral agents useful in the treatment of HIV or agents useful in the treatment of inflammatory diseases.

  本发明涉及CCR5拮抗剂的使用，其化学式为或其药学上可接受的盐，其中R是可选的取代苯基、吡啶基、噻吩基或萘基；R1是氢或烷基；R2是取代苯基、取代杂环芳基、萘基、芴基、二苯甲基或可选取代的苯基或杂环芳基烷基；R3是氢、烷基、烷氧基烷基、环烷基、环烷基烷基或可选取代的苯基、苯基烷基、萘基、萘基烷基、杂环芳基或杂环芳基烷基；R4、R5和R7是氢或烷基；R6是氢、烷基或烯基；用于治疗HIV、固体器官移植排斥、移植物抗宿主病、关节炎、类风湿性关节炎、炎症性肠病、特应性皮炎、牛皮癣、哮喘、过敏或多发性硬化症，以及新型化合物、包含它们的药物组合物，以及本发明的CCR5拮抗剂与用于治疗HIV或治疗炎症性疾病的抗病毒药物的组合。
• Quinolones as gonadotropin releasing hormone (GnRH) antagonists: simultaneous optimization of the C(3)-aryl and C(6)-substituents
  作者：Jonathan R. Young、Song X. Huang、Irene Chen、Thomas F. Walsh、Robert J. DeVita、Matthew J. Wyvratt、Mark T. Goulet、Ning Ren、Jane Lo、Yi Tien Yang、Joel B. Yudkovitz、Kang Cheng、Roy G. Smith

  DOI：10.1016/s0960-894x(00)00318-8

  日期：2000.8

  A series of 3-arylquinolones was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. A variety of substitution patterns of the 3-aryl substituent are described. The 3,4,5-trimethylphenyl substituent (23h) was found to he optimal. (C) 2000 Elsevier Science Ltd. All rights reserved.