|
|
| | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI) Basic information |
| Product Name: | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI) | | Synonyms: | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI);1H-BenziMidazole, 6-chloro-2-ethyl-;6-CHLORO-2-ETHYL-1H-BENZO[D]IMIDAZOLE;6-chloro-2-ethyl-1H-Benzimidazole;5-chloro-2-ethyl-1H-benzo[d]imidazole;5-chloro-2-ethyl-1H-benzenebenzo[d]imidazole | | CAS: | 34569-15-8 | | MF: | C9H9ClN2 | | MW: | 180.63 | | EINECS: | | | Product Categories: | BENZIMIDAZOLE | | Mol File: | 34569-15-8.mol |  |
| | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI) Chemical Properties |
| Melting point | 168-170 °C | | Boiling point | 376.0±15.0 °C(Predicted) | | density | 1.291±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 10.59±0.10(Predicted) | | Appearance | Light brown to brown Solid | | InChI | InChI=1S/C9H9ClN2/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2H2,1H3,(H,11,12) | | InChIKey | AIXMQUWDZVRMJJ-UHFFFAOYSA-N | | SMILES | C1(CC)NC2=CC(Cl)=CC=C2N=1 |
| | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI) Usage And Synthesis |
| Synthesis | 4-Chloro-1,2-benzenediamine (71.0 mg, 0.5 mmol) and 3,5-heptanedione (64.0 mg, 0.5 mmol) were used as raw materials, and the above materials and p-toluenesulfonic acid (9.5 mg, 0.05 mmol) were added sequentially in a 25 mL Schlenk flask. Subsequently, toluene (4.0 mL) was added and the reaction mixture was placed in a 60°C oil bath and stirred for 24 hours. After completion of the reaction, the solvent was evaporated under reduced pressure. The crude product was separated by silica gel column chromatography using petroleum ether/ethyl acetate as eluent to afford 5-chloro-2-ethyl-1H-benzo[d]imidazole in 95% yield. | | References | [1] Organic Letters, 2014, vol. 16, # 3, p. 764 - 767
[2] Patent: CN103910682, 2016, B. Location in patent: Paragraph 0035-0037
[3] Journal of Chemical Sciences, 2018, vol. 130, # 1, |
| | 1H-Benzimidazole,5-chloro-2-ethyl-(9CI) Preparation Products And Raw materials |
|