(3R)-2-benzyl-N-(1-butyl-5-carbamoylbenzimidazol-2-yl)-1,1-dioxo-3,4-dihydro-1lambda6,5,2-benzodithiazepine-3-carboxamide | 1415669-08-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3R)-2-benzyl-N-(1-butyl-5-carbamoylbenzimidazol-2-yl)-1,1-dioxo-3,4-dihydro-1lambda6,5,2-benzodithiazepine-3-carboxamide
• 英文别名: (3R)-2-benzyl-N-(1-butyl-5-carbamoylbenzimidazol-2-yl)-1,1-dioxo-3,4-dihydro-1λ6,5,2-benzodithiazepine-3-carboxamide
• CAS: 1415669-08-7
• 化学式: C₂₈H₂₉N₅O₄S₂
• 分子量: 563.701
• InChiKey: FMYOUEUEFSJULF-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苄基碘 在 氢氟酸 、 苯甲醚 作用下， 反应 1.5h， 生成 (3R)-2-benzyl-N-(1-butyl-5-carbamoylbenzimidazol-2-yl)-1,1-dioxo-3,4-dihydro-1lambda6,5,2-benzodithiazepine-3-carboxamide
  参考文献：
  名称：

  Parallel synthesis of structurally diverse aminobenzimidazole tethered sultams and benzothiazepinones

  摘要：

  A solid-phase methodology to construct aminobenzimidazole tethered sultams and benzothiazepinones from commercial amino acids, amines, carboxylic acids, and sulfonyl chlorides is described. Coupling of Fmoc-Cys(Trt)-OH to resin-bound aminobenzimidazole scaffold provided an essential precursor for the construction of a variety of seven membered benzofused cyclic sulfonamides and thiazepinones via palladium catalyzed Buchwald-Hartwig type intramolecular cyclization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.135

文献信息

• Parallel synthesis of structurally diverse aminobenzimidazole tethered sultams and benzothiazepinones
  作者：Sureshbabu Dadiboyena、Adel Nefzi

  DOI：10.1016/j.tetlet.2012.09.135

  日期：2012.12

  A solid-phase methodology to construct aminobenzimidazole tethered sultams and benzothiazepinones from commercial amino acids, amines, carboxylic acids, and sulfonyl chlorides is described. Coupling of Fmoc-Cys(Trt)-OH to resin-bound aminobenzimidazole scaffold provided an essential precursor for the construction of a variety of seven membered benzofused cyclic sulfonamides and thiazepinones via palladium catalyzed Buchwald-Hartwig type intramolecular cyclization. (C) 2012 Elsevier Ltd. All rights reserved.