1-Fluoro-5-(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1-Fluoro-5-(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron
• 英文别名: 1-fluoro-5-(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron
• 化学式: C6H4F4NO3S+
• 分子量: 246.16
• InChiKey: MEYCMYZKEHOPIF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME
  申请人：Shibata Norio

  公开号：US20110319637A1

  公开（公告）日：2011-12-29

  A 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethyl group introduction agent that is effective as an intermediate in pharmaceutical and agrochemical synthesis, a production method thereof, and a production method of a monofluoromethyl group-containing compound using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative are provided. The 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative represented by the following general formula (1) (wherein R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a straight-chain or branched alkyl group having 1 to 4 carbon atoms, a straight-chain or branched alkyloxy group having 1 to 4 carbon atoms, a halogen atom, a nitro group, or a cyano group), the production method thereof, and various monofluoromethyl group-containing compounds are manufactured using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethylating agent.

  一种2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基基团引入剂，可作为制药和农药合成中间体，提供其生产方法，以及使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物制备含单氟甲基基团的化合物的生产方法。所述2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物由下述通用式（1）表示（其中R1、R2、R3和R4各自独立地表示氢原子、具有1至4个碳原子的直链或支链烷基基团、具有1至4个碳原子的直链或支链烷氧基基团、卤素原子、硝基团或氰基团），提供其生产方法，并使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基化剂制造各种含单氟甲基基团的化合物。
• 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof
  申请人：Toru Takeshi

  公开号：US20090131723A1

  公开（公告）日：2009-05-21

  A novel 1-fluoro-1,1-bis(arylsulfonyl)methane is provided which is useful in monofluoromethylation. Also provided is a production method thereof. A method for producing a fluorobis(arylsulfonyl)methane, the method including the steps of: treating a bis(arylsulfonyl)methane represented by the following formula (1), (ArSO 2 ) 2 CH 2 (1) (wherein Ar represents a substituted or unsubstituted phenyl group or naphthyl group) with a base; and then adding a fluorination reagent thereto, to produce fluorobis(arylsulfonyl)methane represented by the following formula (2) (ArSO 2 ) 2 CHF  (2) (wherein Ar is defined as above), and a fluorobis(arylsulfonyl)methane (2) represented by the above formula (2), which is a novel compound that is very useful in producing a monofluoromethyl.

  提供了一种新型的1-氟-1,1-双(芳基磺酰基)甲烷，可用于单氟甲基化。还提供了一种其生产方法。一种制备氟双(芳基磺酰基)甲烷的方法，包括以下步骤：用碱处理以下式子(1)所表示的双(芳基磺酰基)甲烷(ArSO2)2CH2(1)(其中Ar代表取代或未取代的苯基或萘基)，然后加入氟化试剂，制备以下式子(2)所表示的氟双(芳基磺酰基)甲烷(ArSO2)2CHF  (2)(其中Ar的定义如上)，以及上述式子(2)所表示的新型化合物氟双(芳基磺酰基)甲烷(2)，在单氟甲基化生产中非常有用。
• Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：EP0526849A1

  公开（公告）日：1993-02-10

  A substituted N-fluoropyridiniumsulfonate of the formula: in which R1 is a hydrogen atom, a halogen atom or a C1-C4 alkyl or haloalkyl group, and R2 is a C1-C4 alkyl or haloalkyl group, which is an effective fluorinating agent.

  一种取代的 N-氟吡啶鎓磺酸盐，其式如下 其中 R1 是氢原子、卤素原子或 C1-C4 烷基或卤代烷基，R2 是 C1-C4 烷基或卤代烷基，它是一种有效的氟化剂。
• Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0763524A1

  公开（公告）日：1997-03-19

  Compounds of formula (I): wherein: R1 is alkyl; R2a, R2b, R2c and R2d are the same or different and each is hydrogen, optionally substituted alkyl or various other organic groups; R3 is alkyl; R4 is a group of formula (II), (III), (IV), (V), (VI), (VII), (VIII) or (IX): wherein: A1 is a single bond, alkylene or alkenylene; A2 is or alkenylene; A3 is a single bond, alkyleneor alkenylene; R5a and R5b are the same or different and each is hydrogen, alkyl or various other groups; R6 is alkyl or phenyl; R7 is hydrogen or alkyl; R8 is alkyl or various other groups; and n is 0 or 1] and pharmaceutically acceptable salts thereof have valuable inhibitory activity against acyl-CoA: cholesterol acyl transferase.

  式(I)化合物： 其中R1 是烷基；R2a、R2b、R2c 和 R2d 相同或不同，各自是氢、任选取代的烷基或各种其它有机基团；R3 是烷基；R4 是式 (II)、(III)、(IV)、(V)、(VI)、(VII)、(VIII) 或 (IX) 的基团： 其中A1 是单键、亚烷基或烯基；A2 是或烯基；A3 是单键、亚烷基或烯基；R5a 和 R5b 相同或不同，且各自是氢、烷基或各种其它基团；R6 是烷基或苯基；R7 是氢或烷基；R8 是烷基或各种其它基团；以及 n 是 0 或 1]及其药学上可接受的盐类对酰基-CoA：胆固醇酰基转移酶具有宝贵的抑制活性。
• ELECTROLYTIC SOLUTION AND DEVICE FOR GENERATING ELECTRIC ENERGY THEREWITH
  申请人：Daikin Industries, Ltd.

  公开号：EP0948073A1

  公开（公告）日：1999-10-06

  An electrolyte containing at least one of dihalodicarbonyl compounds, in which hydrogen atoms of a methylene group between the two carbonyl groups are substituted with halogen atoms, and an electric energy generator comprising the electrolyte, an active material for positive electrode and an active material for negative electrode. The electrolyte has high polarity, high resistance to oxidation and flame retardance, and thus possesses excellent characteristics as the electrolyte for electric energy generators.

  一种含有至少一种二卤代羰基化合物（其中两个羰基之间的亚甲基的氢原子被卤素原子取代）的电解液，以及一种由该电解液、正极活性材料和负极活性材料组成的电能发生器。该电解液具有高极性、高抗氧化性和阻燃性，因此具有作为电能发生器电解液的优良特性。