2-<<(Pentafluorophenyl)methyl>thio>-1H-benzimidazole | 157609-68-2

• 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-<<(Pentafluorophenyl)methyl>thio>-1H-benzimidazole
• 英文别名: 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole；2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-benzimidazole
• CAS: 157609-68-2
• 化学式: C₁₄H₇F₅N₂S
• 分子量: 330.281
• InChiKey: LXTKQRJZROGECH-UHFFFAOYSA-N

物化性质

• 沸点：
  427.6±55.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-<<(Pentafluorophenyl)methyl>thio>-1H-benzimidazole 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以61%的产率得到Tetrafluorobenzimidazobenzothiazine
  参考文献：
  名称：

  Synthesis of New Tetrafluorobenzo Heteroaromatic Compounds

  摘要：

  The cyclocondensation of pentafluorobenzoyl chloride with 2-mercaptobenzimidazole (6), 2-mercaptoimidazole (10), 2-imidazolidinethione (12), and perimidine-2-thione 15 gave tetrafluorobenzo heterocycles 7, 11, 13, and 16, respectively. In addition, the reaction of 2-mercaptobenzimidazole (6) with pentafluorobenzyl bromide followed by treatment with NaH gave tetrafluorobenzo heterocycle 22.

  DOI：

  10.1021/jo00104a025
• 作为产物：
  描述：

  1H-苯并咪唑-2-硫醇 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到2-<<(Pentafluorophenyl)methyl>thio>-1H-benzimidazole
  参考文献：
  名称：

  Synthesis of New Tetrafluorobenzo Heteroaromatic Compounds

  摘要：

  The cyclocondensation of pentafluorobenzoyl chloride with 2-mercaptobenzimidazole (6), 2-mercaptoimidazole (10), 2-imidazolidinethione (12), and perimidine-2-thione 15 gave tetrafluorobenzo heterocycles 7, 11, 13, and 16, respectively. In addition, the reaction of 2-mercaptobenzimidazole (6) with pentafluorobenzyl bromide followed by treatment with NaH gave tetrafluorobenzo heterocycle 22.

  DOI：

  10.1021/jo00104a025

文献信息

• Silver halide emulsions stabilized with improved antifoggants
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05409809A1

  公开（公告）日：1995-04-25

  An improved stabilizer is provided with decreased fog and minimal loss of photographic speed. The stabilizers are represented by A-(Y).sub.n -B wherein; n is 0 or 1; Y is --S--, --CH.sub.2 S--, or 2,6 disubstituted pyridine with the proviso that when Y is --CH.sub.2 S-- the substituent A is attached to the sulfur; when Y is --S-- or --CH.sub.2 S-- A is pyrimidine, tetrazole, benzoxazole, benzimidazole, benzothiazole, benzoselenazole, naphthoxazole, or ##STR1## B and E separately are phenyl substituted with at least one electron accepting group or pyridine substituted with at least one electron accepting group with the proviso that when Y is --S--CH.sub.2 -- A is not tetrazole when B is phenyl; when Y is 2,6 disubstituted pyridine A represents hydrogen, benzoxazole, benzimidazole, benzothiazole, benzselenazole, naphthoxazole; B represents benzoxazole, benzimidazole, benzothiazole, benzselenazole, naphthoxazole and with the provisio that when Y is S, A-(Y).sub.n -B is limited to specific components.

  提供了一种改进的稳定剂，具有减少雾度和最小化照片速度损失的效果。该稳定剂由A-(Y).sub.n -B表示，其中；n为0或1；Y为--S--、--CH.sub.2 S--或2,6-二取代吡啶，但当Y为--CH.sub.2 S--时，取代基A附着在硫上；当Y为--S--或--CH.sub.2 S--时，A为嘧啶、四唑、苯并噁唑、苯并咪唑、苯并噻唑、苯并硒唑、萘并噁唑或##STR1##，B和E分别为芳基，其上至少有一个电子受体基团或取代有至少一个电子受体基团的吡啶，但当Y为--S--CH.sub.2 --时，当B为苯基时，A不是四唑；当Y为2,6-二取代吡啶时，A代表氢、苯并噁唑、苯并咪唑、苯并噻唑、苯并硒唑、萘并噁唑；B代表苯并噁唑、苯并咪唑、苯并噻唑、苯并硒唑、萘并噁唑，但当Y为S时，A-(Y).sub.n -B仅限于特定的组分。
• Synthesis of New Tetrafluorobenzo Heteroaromatic Compounds
  作者：William R. Dolbier、Conrad Burkholder、Khalil A. Abboud、David Loehle

  DOI：10.1021/jo00104a025

  日期：1994.12

  The cyclocondensation of pentafluorobenzoyl chloride with 2-mercaptobenzimidazole (6), 2-mercaptoimidazole (10), 2-imidazolidinethione (12), and perimidine-2-thione 15 gave tetrafluorobenzo heterocycles 7, 11, 13, and 16, respectively. In addition, the reaction of 2-mercaptobenzimidazole (6) with pentafluorobenzyl bromide followed by treatment with NaH gave tetrafluorobenzo heterocycle 22.