N-i-propyl-1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxide | 1254217-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: N-i-propyl-1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxide
• 英文别名: c；2-propan-2-yl-4,5-dihydro-1H-3lambda6,2-benzothiazepine 3,3-dioxide；2-propan-2-yl-4,5-dihydro-1H-3λ6,2-benzothiazepine 3,3-dioxide
• CAS: 1254217-21-4
• 化学式: C₁₂H₁₇NO₂S
• 分子量: 239.338
• InChiKey: AYCUULVTVBJNBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三聚甲醛 、 2-phenyl-N-propan-2-ylethanesulfonamide 在 sulfated zirconia 作用下， 反应 7.0h， 以42%的产率得到N-i-propyl-1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxide
  参考文献：
  名称：

  Sulfated Zirconia as an Efficient Catalyst for Sulfonylamidomethylation of Benzylsulfonamides and 2-Phenylethanesulfonamides: Effect of Catalyst Thermal Treatment

  摘要：

  The synthesis of 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides and 1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxides is studied using sulfated zirconia as catalyst. The sulfated zirconia calcined at 550 A degrees C achieved a high selectivity which is attributed to the formation of a tetragonal phase. In addition, the catalyst can be reused up to three times without loss of its catalytic activity.

  DOI：

  10.1007/s10562-010-0389-x

文献信息

• Synthesis of 1,2,4,5-Tetrahydro-3,2-benzothiazepine 3,3-Dioxides Using Amberlyst-15
  作者：Leandro D. Sasiambarrena、Alicia S. Cánepa、Rodolfo D. Bravo

  DOI：10.1080/00397910903533983

  日期：2010.12.22

  A convenient method for the synthesis of 1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxides from 2-phenylethanesulfonamides and formaldehyde using Amberlyst resin as catalyst is described.
• PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND
  申请人：Kato Issei

  公开号：US20120135997A1

  公开（公告）日：2012-05-31

  The present invention provides, for example, the following compounds as a pharmaceutical composition for treating diseases induced by production, secretion or deposition of amyloid β proteins. The present invention provides a pharmaceutical composition for suppressing amyloid β production comprising a compound of the formula: wherein A is a benzene ring, a pyridine ring or a pyrimidine ring, X is sultam, lactam, sulfonamide or the like, C is substituted or unsubstituted imidazolyl, substituted or unsubstituted oxazolyl or the like, R 2 , R 3 and R 4 are each independently hydrogen, halogen, hydroxy, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkoxy or the like, its pharmaceutically acceptable salt or a solvate thereof.
• Sulfated Zirconia as an Efficient Catalyst for Sulfonylamidomethylation of Benzylsulfonamides and 2-Phenylethanesulfonamides: Effect of Catalyst Thermal Treatment
  作者：Leandro D. Sasiambarrena、Leticia J. Mendez、Marco A. Ocsachoque、Alicia S. Cánepa、Rodolfo D. Bravo、M. Gloria González

  DOI：10.1007/s10562-010-0389-x

  日期：2010.9

  The synthesis of 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides and 1,2,4,5-tetrahydro-3,2-benzothiazepine 3,3-dioxides is studied using sulfated zirconia as catalyst. The sulfated zirconia calcined at 550 A degrees C achieved a high selectivity which is attributed to the formation of a tetragonal phase. In addition, the catalyst can be reused up to three times without loss of its catalytic activity.