3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate
• 英文别名: N-methylbenzothiazolium trifluoromethylsulfonate；3-Methyl-1,3-benzothiazol-3-ium;trifluoromethanesulfonate；3-methyl-1,3-benzothiazol-3-ium;trifluoromethanesulfonate
• 化学式: CF₃O₃S*C₈H₈NS
• 分子量: 299.295
• InChiKey: AXKZIMYWBAYLHW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯并噻唑 反应 24.0h， 生成 3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate
  参考文献：
  名称：

  噻唑鎓盐的合成及其催化活性的筛选

  摘要：

  开发了一种简便的合成方法来高产率地制备基于噻唑鎓的离子液体。噻唑的直接烷基化使用三烷基原酸酯作为烷基供体和溶剂两者进行。随后筛选合成的噻唑鎓盐催化苯偶姻缩合反应的能力。在测试的盐中，发现3-丁基，4,5-二甲基噻唑鎓盐是最好的催化剂。

  DOI：

  10.1002/bkcs.10249

文献信息

• Solvent-free synthesis of benzothiazole-based quaternary ammonium salts: precursors to ionic liquids
  作者：Sohail Nadeem、Munawar A. Munawar、Saeed Ahmad、Marcin Smiglak、David M. Drab、Khizar I. Malik、Rana Amjad、Chaudhry M. Ashraf、Robin D. Rogers

  DOI：10.3998/ark.5550190.0011.703

  日期：——

  series of 13 benzothiazolium iodide salts have been prepared in solvent-free conditions by optimizing the reaction. An additional 26 benzothiazolium salts with bistrifluoromethanesulfonimide and trifluoromethylsulfonate were prepared via simple metathesis reactions from the iodide precursors. Out of a total of 39 prepared salts, 26 were identified as ionic liquids, with melting points as low as 42 o

  通过优化反应，在无溶剂条件下制备了一系列 13 种苯并噻唑碘化物盐。另外 26 种苯并噻唑鎓盐与双三氟甲磺酰亚胺和三氟甲基磺酸盐是通过碘化物前体的简单易位反应制备的。在总共 39 种制备的盐中，有 26 种被鉴定为离子液体，观察到十二烷基苯并噻唑鎓双三氟甲磺酰亚胺的熔点低至 42 o C。所有制备的化合物均已使用 FTIR、 1 H、 13 C NMR 和 HRMS 分析进行表征。还分析了这些盐的热稳定性和熔点。
• 트리알킬 오르소에스테르를 이용한 무수 이온성 액체 직접 합성법 개발
  申请人：Pusan National University Industry-University Cooperation Foundation 부산대학교 산학협력단(220040044843) BRN ▼621-82-06530

  公开号：KR20150079403A

  公开（公告）日：2015-07-08

  본 발명은, 질소함유 헤테로고리 화합물 및 아민계 화합물 중 적어도 어느 하나와 음이온염 화합물 및 트리알킬 오르소에스테르(trialkyl orthoester)을 반응시켜 알킬화된 질소를 포함하는 헤테로고리 화합물 또는 아민계 화합물을 제조하는 단계를 포함하는 이온성 액체 제조 방법에 관한 것이다.

  This is the translation of the text you provided: 该发明涉及将含氮杂环化合物和胺类化合物中的至少一种与阴离子盐化合物和三烷基正酯(trialkyl orthoester)反应以制备含有烷基化氮的杂环化合物或胺类化合物的离子液体制备方法。
• N-propargyl-2-alkynylbenzothiazolium aza-enediynes: role of the 2-alkynylbenzothiazolium functionality in DNA cleavage
  作者：Dalip Kumar、Wendi M David、Sean M Kerwin

  DOI：10.1016/s0960-894x(01)00606-0

  日期：2001.11

  The 2-alkynylbenzothiazolium salts 3a-d incorporating an N-propargyl moiety have been prepared as aza-enediyne analogues. While these aza-enediynes are shown to be modest DNA cleavage agents, DNA cleavage was also observed with the N-methyl-2-alkynylbenzothiazolium salt 4, which lacks the aza-enediyne moiety. The structural requirements for DNA cleavage, and the correlation of DNA cleavage efficiency with the propensity of these compounds to undergo nucleophilic addition by methanol support a proposed DNA cleavage mechanism involving DNA alkylation. by appropriate 2-alkynyl-substituted benzothiazolium salts. (C) 2001 Elsevier Science Ltd. All rights reserved.
• ONE-POT WATER-FREE IONIC LIQUIDS SYNTHESIS USING TRIALKYL ORTHOESTERS
  申请人：PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION

  公开号：US20160326095A1

  公开（公告）日：2016-11-10

  The present disclosure provides a method for producing an ionic liquid, the method comprising: reacting a nitrogen-containing heterocyclic compound or an amine-based compound with an ammonium salt along with trialkyl orthoformate to acquire an alkylated nitrogen-containing heterocyclic compound or an alkylated nitrogen-containing amine-based compound, wherein the alkylated nitrogen-containing heterocyclic compound or the alkylated nitrogen-containing amine-based compound as a cation of the ionic liquid is ionically bonded to an anion included in the ammonium salt to form the ionic liquid.
• US9919997B2
  申请人：——

  公开号：US9919997B2

  公开（公告）日：2018-03-20