N-<4-(8-(2-dimethylaminoethyl)-2-formyl-5,6,7,8-tetrahydro-4H-thieno<2,3-b><1,4>diazepin-4-yl)carbonyl>phenyl-2-phenylbenzamide

• 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: N-<4-(8-(2-dimethylaminoethyl)-2-formyl-5,6,7,8-tetrahydro-4H-thieno<2,3-b><1,4>diazepin-4-yl)carbonyl>phenyl-2-phenylbenzamide
• 英文别名: N-[4-[8-[2-(dimethylamino)ethyl]-2-formyl-6,7-dihydro-5H-thieno[2,3-b][1,4]diazepine-4-carbonyl]phenyl]-2-phenylbenzamide
• 化学式: C₃₂H₃₂N₄O₃S
• 分子量: 552.697
• InChiKey: SAFNNPLUHNPVQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二氢-3-(异十二碳烯基)呋喃-2,5-二酮 在 platinum(IV) oxide 氯化亚砜 、 氢气 、 三乙胺 、 三氯氧磷 作用下， 反应 51.0h， 生成 N-<4-(8-(2-dimethylaminoethyl)-2-formyl-5,6,7,8-tetrahydro-4H-thieno<2,3-b><1,4>diazepin-4-yl)carbonyl>phenyl-2-phenylbenzamide
  参考文献：
  名称：

  Synthesis of Novel 5,6,7,8-Tetrahydro-4H-thieno[2,3-b][1,4]diazepine Derivatives

  摘要：

  Unsubstituted 5,6,7, 8-tetrahydro-4H-thieno[2, 3-b][1,4]diazepine (1) and 4H-thieno[2,3-b][1,4]diazepine-5,7(6H,8H)-dione (2) were newly synthesized. Benzoylation of 1 regioselectively afforded thienodiazepine (13) substituted with a benzoyl group nl position 4. Alternatively, novel synthetic procedures were devised to yield thienodiazepine (22) substituted with an alkyl group or compound (14) with an aralkyl group at position 8. Thus, the ingenious introduction of functional groups at the N-4 or 8 position of a thienodiazepine skeleton was achieved and then a variety of 5,6,7,8-tetrahydro-4H-thieno[2,3-b][1,4]diazepines (5)-(9), and (27), some of which exhibited potent arginine vasopressin antagonistic activity, were obtained using the key intermediates and (1), (13), (14) and (22).

  DOI：

  10.3987/com-98-8179

文献信息

• Synthesis of Novel 5,6,7,8-Tetrahydro-4H-thieno[2,3-b][1,4]diazepine Derivatives
  作者：Hidetsura Cho、Kengo Murakami、Akitaka Fujisawa、Misako Niwa、Hiroyuki Nakanishi、Itsuo Uchida

  DOI：10.3987/com-98-8179

  日期：——

  Unsubstituted 5,6,7, 8-tetrahydro-4H-thieno[2, 3-b][1,4]diazepine (1) and 4H-thieno[2,3-b][1,4]diazepine-5,7(6H,8H)-dione (2) were newly synthesized. Benzoylation of 1 regioselectively afforded thienodiazepine (13) substituted with a benzoyl group nl position 4. Alternatively, novel synthetic procedures were devised to yield thienodiazepine (22) substituted with an alkyl group or compound (14) with an aralkyl group at position 8. Thus, the ingenious introduction of functional groups at the N-4 or 8 position of a thienodiazepine skeleton was achieved and then a variety of 5,6,7,8-tetrahydro-4H-thieno[2,3-b][1,4]diazepines (5)-(9), and (27), some of which exhibited potent arginine vasopressin antagonistic activity, were obtained using the key intermediates and (1), (13), (14) and (22).