2-(2'-(methylthio)phenyl)benzimidazole | 62871-44-7

• 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: 2-(2'-(methylthio)phenyl)benzimidazole
• 英文别名: 2-(2-methylsulfanyl-phenyl)-1H-benzoimidazole；2-(2-Methylthiophenyl)-1H-benzimidazole；1H-Benzimidazole, 2-[2-(methylthio)phenyl]-；2-(2-methylsulfanylphenyl)-1H-benzimidazole
• CAS: 62871-44-7
• 化学式: C₁₄H₁₂N₂S
• mdl: MFCD22853935
• 分子量: 240.329
• InChiKey: HWGYOPQINUYWBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2'-(methylthio)phenyl)benzimidazole 、 碘甲烷 、 potassium carbonate 在 乙酸乙酯 、 Brine 、 magnesium sulfate 、 SiO2 CH2Cl2 作用下， 以 N,N-二甲基甲酰胺 、 Brine 为溶剂， 反应 24.0h， 以to afford the sub-title compound as yellow solid, MS MW 254 bp 239的产率得到1-Methyl-2-(2-methylthiophenyl)-1H-benzimidazole
  参考文献：
  名称：

  2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having

  摘要：

  化合物的式子为I，其中A是一个5或6成员的，完全不饱和的，碳环或杂环，B是一个5或6成员的，完全不饱和的，含氮的杂环，X是NR.sub.19，O或S，R.sub.19是氢或烷基，可以被-OCOR取代，n为0或1，R.sub.3，R.sub.4，R.sub.5，R.sub.6，R.sub.7，R.sub.8，R.sub.9和R.sub.10具有不同的意义，R.sub.1和R.sub.2是氢或烷基，或与它们附着的环碳原子一起形成苯环或吡啶环，该环携带取代基R.sub.15，R.sub.16，R.sub.17和R.sub.18，R.sub.15，R.sub.16，R.sub.17和R.sub.18具有不同的意义，在某些条件下进行描述。还描述了制备该化合物和含有它们的制药配方，例如用于治疗包括胃酸过多在内的疾病。

  公开号：

  US04900751A1
• 作为产物：
  描述：

  邻甲硫基苯甲醛 、 邻苯二胺 在 N-羟基邻苯二甲酰亚胺 、 air 、 cobalt(II) acetate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以61%的产率得到2-(2'-(methylthio)phenyl)benzimidazole
  参考文献：
  名称：

  N-Hydroxyphthalimide/Cobalt Acetate, a New Catalytic Oxidative System for the Synthesis of Benzimidazoles

  摘要：

  Benzimidazoles are readily prepared from 1,2-phenylenediamine and an aldehyde using air and catalytic N-hydroxyphthalimide/Co(OAc)(2) as the oxidant. Both electron-donating and electron-withdrawing groups are tolerated.

  DOI：

  10.1080/00397910802162959

文献信息

• Heterocyclic substituted azole derivatives
  申请人：FISONS plc

  公开号：EP0262845A1

  公开（公告）日：1988-04-06

  Compounds of formula I, in which A is a 5 or 6 membered, fully unsaturated, carbocyclic or.heterocyciic ring, B is a 5 or 6 membered, fully unsaturated, nitrogen containing heterocyclic ring, X is NR19. O or S, R19 is hydrogen or alkyl optionally substituted by -OCOR, n is 0 or l, R3. R4, R5, R6. R7. R8, R9 and R10 have various significances, R1 and R2, are hydrogen or alkyl or together with the ring carbon atoms to which they are attached, form a benzene or pyridine ring, which ring carries substituents R15. R16, R17 and R18. R15, R16. R17 and R18. have various significances, with certain provisos are described. Processes for making the compounds and pharmaceutical formulations containing them, eg for the treatment of conditions including excess gastric acid secretion, are also described.

  式 I 的化合物、 其中 A 是 5 或 6 个分子、完全不饱和的碳环或杂环、 B 是 5 或 6 个分子、完全不饱和、含氮杂环、 X 是 NR19.O或S、 R19 是氢或被 -OCOR、 n 是 0 或 l、 R3.R4，R5，R6。R7.R8、R9 和 R10 具有各种意义、 R1 和 R2 是氢或烷基，或与它们所连接的环碳原子一起形成苯环或吡啶环，该环带有取代基 R15、R16、R17 和 R18。R16、R17 和 R18。 R15、R16.R15、R16、R17 和 R18.具有不同的意义，但有某些限制性规定。 还描述了制造这些化合物和含有这些化合物的药物制剂的工艺，例如用于治疗包括胃酸分泌过多在内的疾病。
• N-Hydroxyphthalimide/Cobalt Acetate, a New Catalytic Oxidative System for the Synthesis of Benzimidazoles
  作者：Gary M. Coppola

  DOI：10.1080/00397910802162959

  日期：2008.9.29

  Benzimidazoles are readily prepared from 1,2-phenylenediamine and an aldehyde using air and catalytic N-hydroxyphthalimide/Co(OAc)(2) as the oxidant. Both electron-donating and electron-withdrawing groups are tolerated.
• US4900751A
  申请人：——

  公开号：US4900751A

  公开（公告）日：1990-02-13
• Synthesis, characterization and coordination properties of 2-(2′-(methylseleno)phenyl)benzimidazole
  作者：Pradip Kr. Dutta、Snigdha Panda、Sanjio S. Zade

  DOI：10.1016/j.ica.2013.11.030

  日期：2014.2

  2-(2 '-(methylseleno) phenyl) benzimidazole (1) was synthesized from 2-(methylseleno) benzaldehyde and 1,2-diaminobenzene in presence of acetic acid as a catalyst. The reaction of 1 with Pd(II) and Pt(II) afforded square planar complexes 4 and 5 with metal ligand ratio of 1:2. The structures of benzimidazole ligand 1 and complexes 4 and 5 were determined by single crystal X-ray diffraction. Crystal structures showed formation of cis isomers and the packing patterns showed formation of supramolecular structures via weak van der Waals interactions. As expected, the hard bases 2 and 3 did not react with soft acids Pd(II) and Pt(II). (C) 2013 Elsevier B.V. All rights reserved.
• 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having
  申请人：Fisons plc

  公开号：US04900751A1

  公开（公告）日：1990-02-13

  Compounds of formula I, ##STR1## in which A is a 5 or 6 membered, fully unsaturated, carbocyclic or heterocyclic ring, B is a 5 or 6 membered, fully unsaturated, nitrogen containing heterocyclic ring, X is NR.sub.19, O or S, R.sub.19 is hydrogen or alkyl optionally substituted by --OCOR, n is 0 or 1, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, R.sub.9 and R.sub.10 have various significances, R.sub.1 and R.sub.2, are hydrogen or alkyl or together with the ring carbon atoms to which they are attached, form a benzene or pyridine ring, which ring carries substituents R.sub.15, R.sub.16, R.sub.17 and R.sub.18, R.sub.15, R.sub.16, R.sub.17 and R.sub.18, have various significances, with certain provisos are described. Processes for making the compounds and pharmaceutical formulations containing them, e.g. for the treatment of conditions including excess gastric acid secretion, are also described.

  化合物的化学式为I，##STR1## 其中A是一个5或6成员的，完全不饱和的，碳环或杂环，B是一个5或6成员的，完全不饱和的，含氮的杂环，X是NR.sub.19，O或S，R.sub.19是氢或烷基，可以选择地被--OCOR取代，n为0或1，R.sub.3，R.sub.4，R.sub.5，R.sub.6，R.sub.7，R.sub.8，R.sub.9和R.sub.10具有不同的含义，R.sub.1和R.sub.2是氢或烷基，或者与它们连接的环碳原子一起形成苯或吡啶环，该环带有取代基R.sub.15，R.sub.16，R.sub.17和R.sub.18，R.sub.15，R.sub.16，R.sub.17和R.sub.18具有不同的含义，在特定条件下描述。还描述了制备这些化合物和含有它们的药物配方的方法，例如用于治疗包括胃酸过多等病症。