4,5-dihydro-1H,3H-[1,4]thiazepino[4,3-a]benzimidazole | 55392-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4,5-dihydro-1H,3H-[1,4]thiazepino[4,3-a]benzimidazole
• 英文别名: 4,5-Dihydro-1H,3H-(1,4)-thiazepino<4,3-a>benzimidazol；1,3,4,5-Tetrahydro-[1,4]thiazepino[4,3-a]benzimidazole
• CAS: 55392-97-7
• 化学式: C₁₁H₁₂N₂S
• 分子量: 204.296
• InChiKey: OQERWLJGWFIGBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  o-phenylenediamine dihydrochloride 在 sodium hydroxide 、 苄基三乙基氯化铵 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4,5-dihydro-1H,3H-[1,4]thiazepino[4,3-a]benzimidazole
  参考文献：
  名称：

  Synthesis and Structural Features of New Cyclofunctionalized Benzimidazoles

  摘要：

  The synthesis of new tricyclic derivatives having sulfur-containing six or seven-membered rings fused to the <> edge of benzimidazole system, is reported. The stereochemical characteristics of thiazino- and thiazepinobenzimidazoles (4-7) are described and comparative NMR data are discussed. The synthetic approach to new benzo- or pyridothiazinobenzimidazole tetracyclic systems (8) is also reported.

  DOI：

  10.3987/com-99-8784

文献信息

• Tricyclic imidazole derivatives
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US03932395A1

  公开（公告）日：1976-01-13

  New tricyclic fused imidazole derivatives of the general formula (I), ##SPC1## wherein R.sub.1 stands for hydrogen or hydroxy, n is equal to zero or one, m is equal to zero, one or two, A stands for a group of the general formula (II), ##EQU1## wherein R.sub.2 represents hydrogen or hydroxy, R.sub.3 represents hydrogen or amino, or Q and Z each stand for nitrogen or a =C-- group, or A stands for a group of the general formula (III), ##EQU2## wherein R.sub.4 and R.sub.5 each represent hydrogen, methyl, chlorine or nitro, Were prepared by reacting a compound of the general formula (IV) ##SPC2## wherein A and n each have the same meanings as defined above, with a compound of the general formula (V), ##EQU3## wherein X stands for halogen, R.sub.6 stands for hydrogen and R.sub.7 stands for a group of the general formula (VI), --(CH.sub.2).sub.m --X (VI) in which m and X each have the same meanings as defined above, or R.sub.6 and R.sub.7 together stand for oxygen. The reaction is carried out optionally in the presence of a base. The compounds of the general formula (I) can be converted into their acid addition salts. The compounds of the general formula (I) as well as their acid addition salts exert antipyretic and antiphlogistic activities, inhibit the reproduction of viruses, and exert a protecting effect against albumine shock.

  新的三环融合咪唑衍生物的一般式（I）为：##SPC1## 其中R1表示氢或羟基，n等于零或一，m等于零、一或二，A表示一般式（II）的基团：##EQU1## 其中R2代表氢或羟基，R3代表氢或氨基，或Q和Z各代表氮或=C—基团，或A表示一般式（III）的基团：##EQU2## 其中R4和R5各代表氢、甲基、氯或硝基。通过将一般式（IV）的化合物：##SPC2## 其中A和n的含义与上述相同，与一般式（V）的化合物反应制备得到。其中X代表卤素，R6代表氢，R7代表一般式（VI）的基团：--（CH2）m--X（VI），其中m和X的含义与上述相同，或R6和R7共同代表氧。反应可以在碱的存在下进行。一般式（I）的化合物可以转化为它们的酸加成盐。一般式（I）的化合物以及它们的酸加成盐具有退热和抗炎活性，抑制病毒的复制，并对白蛋白休克产生保护作用。
• US3932395A
  申请人：——

  公开号：US3932395A

  公开（公告）日：1976-01-13
• US4017507A
  申请人：——

  公开号：US4017507A

  公开（公告）日：1977-04-12