4-(3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl)-butan-2-amine | 1033214-98-0

• 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: 4-(3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl)-butan-2-amine
• 英文别名: 4-[3-(2-Fluorophenyl)-2,2-dioxo-2lambda6,1,3-benzothiadiazol-1-yl]butan-2-amine；4-[3-(2-fluorophenyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]butan-2-amine
• CAS: 1033214-98-0
• 化学式: C₁₆H₁₈FN₃O₂S
• 分子量: 335.402
• InChiKey: OZOQRTWBPYXAPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200165209A1

  公开（公告）日：2020-05-28

  The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound useful as a pharmaceutical and agrochemical intermediate; and further a 3-arylpropionamide compound and a 3-arylpropionic acid ester compound useful as production intermediates of the phenylethylamine compound. The 3-arylpropionamide compound or the 3-arylpropionic acid ester compound can be efficiently and industrially produced in a single step by reacting a compound represented by formula (1) (wherein X represents a chlorine atom or a bromine atom; and Y represents an alkyl group optionally substituted with fluorine atom(s), a hydrogen atom, a fluorine atom, a cyano group, an alkylcarbonyl group, a dialkylamino group, or the like) with acrylamide or an acrylic acid ester in the presence of a metal catalyst and a reducing agent.

  本发明提供了一种工业生产方法：制备具有杀虫效果的嘧啶化合物；2-[4-(三氟甲基)苯基]乙胺，它是嘧啶化合物的生产中间体；一种作为药用和农药中间体有用的苯乙胺化合物；以及进一步的作为苯乙胺化合物的生产中间体有用的3-芳基丙酰胺化合物和3-芳基丙酸酯化合物。通过在金属催化剂和还原剂存在下，将由式(1)表示的化合物（其中X代表氯原子或溴原子；Y代表可选地取代氟原子、氢原子、氟原子、氰基、烷基羰基、二烷基氨基基团等的烷基基团）与丙烯酰胺或丙烯酸酯反应，可以高效地并且工业化地在一步中生产3-芳基丙酰胺化合物或3-芳基丙酸酯化合物。
• ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE
  申请人：McComas Casey Cameron

  公开号：US20100029641A1

  公开（公告）日：2010-02-04

  The present invention is directed to aryl sulfamide derivatives of formula I: or a pharmaceutically acceptable salt, stereoisomer or tautomer thereof, which are monoamine reuptake inhibitors, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions, including, inter alia, vasomotor symptoms, sexual dysfunction, gastrointestinal disorders and genitourinary disorder, depression disorders, endogenous behavioral disorders, cognitive disorders, diabetic neuropathy, pain, and other diseases or disorders.

  本发明涉及公式I的芳基磺酰胺衍生物： 或其药学上可接受的盐、立体异构体或互变异构体，它们是单胺再摄取抑制剂，包含这些衍生物的组合物以及它们的使用方法，用于预防和治疗多种疾病或疾病，包括但不限于血管运动症状、性功能障碍、胃肠障碍和泌尿生殖障碍、抑郁症、内源性行为障碍、认知障碍、糖尿病神经病变、疼痛和其他疾病或障碍。
• CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME
  申请人：Nakamura Masaharu

  公开号：US20100094018A1

  公开（公告）日：2010-04-15

  The invention provides a catalyst composition for use in a cross-coupling reaction containing an iron or cobalt fluoride and a nitrogen-containing heterocyclic ring compound represented by General Formula (1A) or (1B), wherein R 1 and R 2 are same or different, and represent substituted or unsubstituted aryl group etc.; and R 3 and R 4 are same or different, and represent hydrogen etc., represents a single bond or a double bond, and X − represents a monovalent anion. The invention also provides a method for producing a cross-coupling compound by reacting an organic magnesium compound with an organic halogen compound in the presence of the catalyst composition.

  该发明提供了一种用于交叉偶联反应的催化剂组合物，其包含铁或钴氟化物和由通式（1A）或（1B）表示的含氮杂环化合物，其中R1和R2相同或不同，表示取代或未取代的芳基等；R3和R4相同或不同，表示氢等；表示单键或双键，X-表示一价阴离子。该发明还提供了一种在催化剂组合物存在下，通过将有机镁化合物与有机卤化合物反应来产生交叉偶联化合物的方法。
• Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US11028056B2

  公开（公告）日：2021-06-08

  The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound useful as a pharmaceutical and agrochemical intermediate; and further a 3-arylpropionamide compound and a 3-arylpropionic acid ester compound useful as production intermediates of the phenylethylamine compound. The 3-arylpropionamide compound or the 3-arylpropionic acid ester compound can be efficiently and industrially produced in a single step by reacting a compound represented by formula (1) (wherein X represents a chlorine atom or a bromine atom; and Y represents an alkyl group optionally substituted with fluorine atom(s), a hydrogen atom, a fluorine atom, a cyano group, an alkylcarbonyl group, a dialkylamino group, or the like) with acrylamide or an acrylic acid ester in the presence of a metal catalyst and a reducing agent.

  本发明提供了一种工业化生产方法：一种具有害虫防治效果的嘧啶化合物；2-[4-(三氟甲基)苯基]乙胺，它是嘧啶化合物的生产中间体；一种苯基乙胺化合物，可用作医药和农用化学品中间体；以及一种3-芳基丙酰胺化合物和一种3-芳基丙酸酯化合物，可用作苯基乙胺化合物的生产中间体。3-arylpropionamide 化合物或 3-arylpropionic acid ester 化合物可通过式 (1) 所代表的化合物进行反应，在一个步骤中高效地工业化生产。 (其中 X 代表氯原子或溴原子；Y 代表任选被氟原子、氢原子、氟原子、氰基、烷基羰基、二烷基氨基等取代的烷基）与丙烯酰胺或丙烯酸酯在金属催化剂和还原剂存在下反应。
• Catalyst composition and process for producing cross-coupled compound using same
  申请人：Ishikawa Shinichi

  公开号：US20060224011A1

  公开（公告）日：2006-10-05

  A catalyst composition for a cross-coupling reaction comprising a nickel salt-amine complex of formula (1), and triphenylphosphine. where R 1 thru R 4 independently represent alkyl, aryl, heteroaryl or alkenyl; n is an integer of 1-6; and X independently represents halo, hydroxyl, nitrate or acetate group. Using the catalyst composition, a cross-coupling reaction is carried out between a boron-containing compound of formula (2) and a compound of formula (3). where R 5 and R 6 are the same as R 1 -R 4 defined above; Y independently represents hydroxyl or alkoxy, Z is halo, methanesulfonate or trifluoromethanesulfonate.