2-methyl-5-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonyl chloride | 630389-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methyl-5-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonyl chloride
• 英文别名: 5-(3-chlorosulphonyl-4-methylphenyl)-1-phenyl-3-trifluoromethyl-1H-pyrazole；2-methyl-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonyl chloride
• CAS: 630389-87-6
• 化学式: C₁₇H₁₂ClF₃N₂O₂S
• 分子量: 400.809
• InChiKey: QTDFZJVGHCIEAG-UHFFFAOYSA-N

物化性质

• 沸点：
  508.1±50.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-methyl-5-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonyl chloride 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以90%的产率得到2-methyl-5-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide
  参考文献：
  名称：

  [EN] LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER
  [FR] AGENT D'OUVERTURE DE CANAUX K ACTIVES PAR LE CALCIUM A CONDUCTANCE ELEVEE

  摘要：

  公开号：

  WO2005037271A3
• 作为产物：
  描述：

  1-phenyl-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole 在 氯磺酸 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以89%的产率得到2-methyl-5-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonyl chloride
  参考文献：
  名称：

  [EN] LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER
  [FR] AGENT D'OUVERTURE DE CANAUX K ACTIVES PAR LE CALCIUM A CONDUCTANCE ELEVEE

  摘要：

  公开号：

  WO2005037271A3

文献信息

• Method of forming a carbon-carbon or carbon-heteroatom linkage
  申请人：Taillefer Marc

  公开号：US20050234239A1

  公开（公告）日：2005-10-20

  The invention relates to a method of creating a carbon-carbon or carbon-heteroatom linkage by reacting an unsaturated compound bearing a leaving group and a nucleophilic compound. More specifically, the invention relates to the creation of a carbon-nitrogen linkage involving the arylation of nitrogenous organic derivatives. The inventive method consists in creating a carbon-carbon or carbon-heteroatom linkage by reacting an unsaturated compound bearing a leaving group and a nucleophilic compound providing a carbon atom or a heteroatom (HE) capable of being substituted for the leaving group, thereby creating a C—C or C-HE linkage. The invention is characterised in that the reaction is carried out in the presence of an effective quantity of a catalyst based on copper and at least one ligand comprising at least one imine function and at least one additional nitrogen atom as chelating atoms

  该发明涉及一种通过使带有离去基团和亲核化合物的不饱和化合物发生反应来创建碳-碳或碳-杂原子键的方法。更具体地，该发明涉及涉及通过芳基化氮有机衍生物来创建碳-氮键。该创新方法包括通过使带有离去基团和提供能够替代离去基团的碳原子或杂原子（HE）的亲核化合物发生反应来创建碳-碳或碳-杂原子键。该发明的特点在于，在铜基催化剂和至少包含至少一个亚胺功能和至少一个额外氮原子作为螯合原子的配体的有效量存在下进行反应。
• Process for arylating or vinylating or alkynating a nucleophilic compound
  申请人：——

  公开号：US20030236413A1

  公开（公告）日：2003-12-25

  The present invention concerns a process for arylating or vinylating or alkynating a nucleophilic compound. More particularly, the invention concerns arylating nitrogen-containing organic derivatives. The arylating or vinylating or alkynating process of the invention consists of reacting a nucleophilic compound with a compound carrying a leaving group and is characterized in that the reaction is carried out in the presence of an effective quantity of a catalyst based on a metallic element M selected from groups (VIII), (Ib) and (IIb) of the periodic table and at least one ligand comprising at least one imine function and at least one supplemental nitrogen atom as the chelating atoms.

  本发明涉及一种用于芳基化、乙烯基化或炔基化亲核化合物的过程。更具体地，本发明涉及芳基化含氮有机衍生物的过程。本发明中的芳基化、乙烯基化或炔基化过程包括将亲核化合物与携带一个离去基团的化合物反应，其特点在于在金属元素M基的催化剂的有效量存在下进行反应，金属元素M选自周期表中的(VIII)、(Ib)和(IIb)族，并且至少包括一个含有至少一个亚胺功能和至少一个补充氮原子作为螯合原子的配体。
• Large conductance calcium-activated k channel opener
  申请人：Imanishi Yasuhiro

  公开号：US20070060629A1

  公开（公告）日：2007-03-15

  The present invention provides a large conductance calcium-activated K channel opener comprising a compound of the formula (I): wherein R 1 and R 3 are each sulfonamide, carbamoyl, acyl, amino, and the like, m and n are each 0 to 2, R 2 and R 4 are each cyano, nitro, hydroxyl, an alkoxy, a halogen, or an alkyl, Ring A is benzene or a heterocyclic ring, Ring B is benzene, a heterocyclic ring, a cycloalkane etc, and Ring Q is pyrazole or isoxazole, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了一种大导电性钙激活K通道开放剂，其包括以下式子（I）的化合物：其中R1和R3各自为磺酰胺基，氨基甲酰基，酰基，氨基等，m和n各自为0到2，R2和R4各自为氰基，硝基，羟基，烷氧基，卤素或烷基，环A为苯环或杂环，环B为苯环，杂环，环己烷等，环Q为吡唑环或异噁唑环，或其药学上可接受的盐作为活性成分。
• PROCEDE DE FORMATION D UNE LIAISON CARBONE-CARBONE OU CARBONE-HETEROATOME
  申请人：RHODIA CHIMIE

  公开号：EP1509502A1

  公开（公告）日：2005-03-02
• LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1675585A2

  公开（公告）日：2006-07-05