4-oxo-1-phenyl-3,4-dihydro-1H-2λ⁶,1-benzothiazine-2,2-dione | 1033628-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-oxo-1-phenyl-3,4-dihydro-1H-2λ⁶,1-benzothiazine-2,2-dione
• 英文别名: 1-phenyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide；2,2-dioxo-1-phenyl-2λ6,1-benzothiazin-4-one
• CAS: 1033628-71-5
• 化学式: C₁₄H₁₁NO₃S
• 分子量: 273.312
• InChiKey: PNYKQRJVTZWSBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-oxo-1-phenyl-3,4-dihydro-1H-2λ⁶,1-benzothiazine-2,2-dione 在 三乙基硅烷 、 三氟乙酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 18.0h， 以90%的产率得到N-Phenyl-3.4-dihydro-sulfostyril
  参考文献：
  名称：

  WO2008/73956

  摘要：

  公开号：
• 作为产物：
  描述：

  4-hydroxy-1-phenyl-2,2-dioxo-1H-2λ⁶,1-benzothiazine-3-carboxylic acid methyl ester 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 0.33h， 以88%的产率得到4-oxo-1-phenyl-3,4-dihydro-1H-2λ⁶,1-benzothiazine-2,2-dione
  参考文献：
  名称：

  2,1-Benzothiazine 2,2-Dioxides. 5*. Hydrolysis of Alkyl 1-R-4-Hydroxy-2,2-Dioxo-1Н-2λ6,1-Benzo-Thiazine-3-Carboxylates**

  摘要：

  Hydrolysis of 1-R-4-hydroxy-2,2-dioxo-1De-2 lambda(6),1-benzothiazine-3-carboxylate esters in HCl-AcOH-H2O mixture at 60A degrees D was accompanied by decarboxylation and led to 1-R-4-oxo-3,4-dihydro-1H-2 lambda(6),1-benzo-thiazine-2,2-diones. In the alkaline medium, regardless of the type of the substituent at position 1, analogous structural transformations occurred at first, but the thiazine ring was also destroyed along with the ester fragment when performing the reaction for a longer time.

  DOI：

  10.1007/s10593-014-1563-7

文献信息

• CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE
  申请人：Fensome Andrew

  公开号：US20080171737A1

  公开（公告）日：2008-07-17

  The present invention is directed to cyclic sulfonamide derivatives of formula I: or a pharmaceutically acceptable salt 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 behaviorial disorder, cognitive disorder, diabetic neuropathy, pain, and other diseases or disorders.

  本发明涉及公式I的环状磺酰胺衍生物或其药学上可接受的盐，其为单胺再摄取抑制剂，包含这些衍生物的组合物，以及它们用于预防和治疗病症的方法，包括但不限于血管运动症状、性功能障碍、胃肠道疾病和泌尿生殖系统疾病、抑郁症、内源性行为障碍、认知障碍、糖尿病神经病变、疼痛和其他疾病或疾患。
• [EN] CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE<br/>[FR] DÉRIVÉS DE SULFONAMIDES CYCLIQUES ET PROCÉDÉS RELATIFS À LEUR UTILISATION
  申请人：WYETH CORP

  公开号：WO2008073956A2

  公开（公告）日：2008-06-19

  [EN] The present invention is directed to cyclic sulfonamide derivatives of formula (I): or a pharmaceutically acceptable salt 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 behaviorial disorder, cognitive disorder, diabetic neuropathy, pain, and other diseases or disorders.
  [FR] La présente invention concerne des dérivés de sulfonamides cycliques de formule (I) ou un sel pharmaceutiquement acceptable de ceux-ci, qui sont des inhibiteurs du recaptage de monoamine. L'invention concerne également des compositions contenant ces dérivés, et des procédés relatifs à leur utilisation dans la prévention et le traitement d'états incluant, notamment, les symptômes vasomoteurs, les troubles sexuels, les troubles gastro-intestinaux et les troubles génito-urinaires, les troubles de la dépression, les troubles comportementaux endogènes, les troubles cognitifs, les neuropathies diabétiques, les douleurs, ainsi que d'autres maladies et troubles.
• 2,1-Benzothiazine 2,2-Dioxides. 5*. Hydrolysis of Alkyl 1-R-4-Hydroxy-2,2-Dioxo-1Н-2λ6,1-Benzo-Thiazine-3-Carboxylates**
  作者：I. V. Ukrainets、L. A. Petrushova、S. P. Dzyubenko、Liu Yangyang

  DOI：10.1007/s10593-014-1563-7

  日期：2014.10

  Hydrolysis of 1-R-4-hydroxy-2,2-dioxo-1De-2 lambda(6),1-benzothiazine-3-carboxylate esters in HCl-AcOH-H2O mixture at 60A degrees D was accompanied by decarboxylation and led to 1-R-4-oxo-3,4-dihydro-1H-2 lambda(6),1-benzo-thiazine-2,2-diones. In the alkaline medium, regardless of the type of the substituent at position 1, analogous structural transformations occurred at first, but the thiazine ring was also destroyed along with the ester fragment when performing the reaction for a longer time.
• WO2008/73956
  申请人：——

  公开号：——

  公开（公告）日：——