N-氟-4-甲基吡啶-2-磺酸盐 | 147540-88-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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
• 中文名称: N-氟-4-甲基吡啶-2-磺酸盐
• 中文别名: N-氟-4-甲基吡啶-2-磺酸
• 英文名称: N-fluoro-4-methylpyridinium-2-sulfonate
• 英文别名: 1-fluoro-4-methylpyridin-1-ium-2-sulfonate
• CAS: 147540-88-3
• 化学式: C₆H₆FNO₃S
• mdl: MFCD00236128
• 分子量: 191.183
• InChiKey: CZLMNRIAOUVXNU-UHFFFAOYSA-N

物化性质

• 熔点：
  203-208°C (dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38

反应信息

• 作为反应物：
  描述：

  N-氟-4-甲基吡啶-2-磺酸盐 、 2-(cyclopropylthio)-2',4'-difluoroacetophenone 以 1,1,2-三氯乙烷 、 水 为溶剂， 生成 2-(Cyclopropylthio)-1-(2,4-difluorophenyl)-2,2-difluoro-1-ethanone
  参考文献：
  名称：

  US6040325

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲基吡啶-2-磺酰酸 在 fluorine 、 三乙胺 作用下， 以 乙腈 为溶剂， 以91%的产率得到N-氟-4-甲基吡啶-2-磺酸盐
  参考文献：
  名称：

  Highly Selective Fluorinating Agents: a Counteranion-Bound N-Fluoropyridinium Salt System

  摘要：

  A series of alkyl- or (trifluoromethyl)-substituted N-fluoropyridinium-2-sulfonates 2a-h, differing in fluorinating power, were synthesized, and assessment was made of the effectiveness of each selective fluorinating agent. N-Fluoropyridinium-3- and -4-sulfonates 3 and 4 were also synthesized. Power-variables 2a-h were found to be highly selective fluorinating agents for a wide range of nucleophilic substrates such as activated aromatics, enol trialkylsilyl and alkyl ethers, active methylene compounds, activated olefins, and sulfides. Thus, phenol, naphthol, phenylurethane, and the trimethylsilyl ether of phenol were exclusively or highly selectively fluorinated at the o-position with 2f-h. Conjugated enol trialkylsilyl ethers of a steroid were regioselectively fluorinated at the 6-position with moderately powerful 2b-e. This regioselectivity increased with the bulkiness of the silyl part, and with the most bulky triisopropylsilyl group exclusive B-fluorination was achieved. Preferential beta-stereoselective fluorination at the 6-position was observed. N-Fluoropyridinium-2-sulfonates were activated with an acid. This acid-catalyzed fluorination led to the preferential p-fluorination of anisole. The present results can be explained based on the capacity of the 2-sulfonate anion to interact with the hydroxy group of phenol or naphthol, NH group of phenylurethane, silicon atoms of silyl ethers, or protons of acids.

  DOI：

  10.1021/jo00125a049
• 作为试剂：
  描述：

  苯酚 在 N-氟-4-甲基吡啶-2-磺酸盐 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以57%的产率得到2-氟苯酚
  参考文献：
  名称：

  Highly Selective Fluorinating Agents: a Counteranion-Bound N-Fluoropyridinium Salt System

  摘要：

  A series of alkyl- or (trifluoromethyl)-substituted N-fluoropyridinium-2-sulfonates 2a-h, differing in fluorinating power, were synthesized, and assessment was made of the effectiveness of each selective fluorinating agent. N-Fluoropyridinium-3- and -4-sulfonates 3 and 4 were also synthesized. Power-variables 2a-h were found to be highly selective fluorinating agents for a wide range of nucleophilic substrates such as activated aromatics, enol trialkylsilyl and alkyl ethers, active methylene compounds, activated olefins, and sulfides. Thus, phenol, naphthol, phenylurethane, and the trimethylsilyl ether of phenol were exclusively or highly selectively fluorinated at the o-position with 2f-h. Conjugated enol trialkylsilyl ethers of a steroid were regioselectively fluorinated at the 6-position with moderately powerful 2b-e. This regioselectivity increased with the bulkiness of the silyl part, and with the most bulky triisopropylsilyl group exclusive B-fluorination was achieved. Preferential beta-stereoselective fluorination at the 6-position was observed. N-Fluoropyridinium-2-sulfonates were activated with an acid. This acid-catalyzed fluorination led to the preferential p-fluorination of anisole. The present results can be explained based on the capacity of the 2-sulfonate anion to interact with the hydroxy group of phenol or naphthol, NH group of phenylurethane, silicon atoms of silyl ethers, or protons of acids.

  DOI：

  10.1021/jo00125a049

文献信息

• Novel piperidine compouds and drugs containing the same
  申请人：——

  公开号：US20030220368A1

  公开（公告）日：2003-11-27

  The present invention provides a novel compound having a superior Na + channel inhibition activity. Namely, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. 1 In the formula, the ring A represents a ring represented by the formula: 2 (wherein R 1 represents a hydrogen atom etc.; and R 2 represents indicates a hydrogen atom and the like) etc.; W represents an optionally substituted C 1-6 alkylene group etc.; Z represents an optionally substituted C 6-14 aromatic hydrocarbon cyclic group etc.; and l represents an integer from 0 to 6.

  本发明提供了一种具有优越的Na + 通道抑制活性的新型化合物。即提供了由以下式（I）表示的化合物，其盐或其水合物。 在该式中，环A表示由以下式表示的环： （其中R 1 表示氢原子等；R 2 表示表示氢原子等）等；W表示可选地取代的C 1-6 烷基等；Z表示可选地取代的C 6-14 芳香烃环基等；l表示0到6的整数。
• 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。
• Triazole derivative and pharmaceutical comprising the same as an
  申请人：SS Pharmaceutical Co., Ltd.

  公开号：US05945438A1

  公开（公告）日：1999-08-31

  Described is a triazole derivative represented by the formula (1) or salt thereof, preparation process thereof, preparation intermediates represented by the formulas (2) and (3), and a pharmaceutical comprising the compound represented by the formula (1) or salt thereof. ##STR1## wherein n stands for 0, 1 or 2, X.sup.1 represents H or F and Y.sup.1 and Y.sup.2 each independently represents H, halogen or CF.sub.3.

  描述了一种由化学式（1）或其盐代表的三唑衍生物，其制备过程，由化学式（2）和（3）代表的制备中间体，以及包含化学式（1）或其盐代表的化合物的制药物。其中n代表0、1或2，X.sup.1代表H或F，Y.sup.1和Y.sup.2分别独立地代表H、卤素或CF.sub.3。
• Triazole derivative or salt thereof
  申请人：SS Pharmaceutical Co., Ltd.

  公开号：US05939448A1

  公开（公告）日：1999-08-17

  Described is a triazole derivative represented by the formula (1): wherein R represents a hydrogen atom, an alkyl group, an aralkyl group or an acyl group, n stands for 0 to 2 and m stands for 1 to 5 or salt thereof, and a pharmaceutical containing the derivative or salt as an effective ingredient.

  描述了一种由公式（1）表示的三唑衍生物：其中R代表氢原子、烷基、芳基烷基或酰基，n代表0至2，m代表1至5或其盐，以及含有该衍生物或盐作为有效成分的药物。
• Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same
  申请人：TEIJIN LIMITED

  公开号：US20020091109A1

  公开（公告）日：2002-07-11

  Compounds expressed by the following general formula (1), 1 [wherein, R 01 and R 02 are each independently a hydrogen atom or a protecting group for a hydroxyl group; Z is one out of the following formulae (1-1), (1-2), (1-3), (1-4) and (1-5)]. 2 The compounds can be used as active ingredients of treating agents for inflammatory respiratory diseases, malignant tumors, rheumatoid arthritis, osteoporosis, diabetes mellitus, hypertension, alopecia, acne, psoriasis, dermatitis, hypercalcemia, hypoparathyroidism and metabolic disorder of cartilage.

  以下为一般式（1）表示的化合物，其中，R01和R02分别独立地表示氢原子或羟基的保护基团；Z为下列式子（1-1）、（1-2）、（1-3）、（1-4）和（1-5）中的一种。这些化合物可以用作治疗炎症性呼吸道疾病、恶性肿瘤、类风湿性关节炎、骨质疏松症、糖尿病、高血压、脱发、痤疮、银屑病、皮炎、高钙血症、甲状旁腺功能减退症和软骨代谢紊乱的治疗剂的活性成分。