| Identification | Back Directory | [Name]
5-CHLORO-1H-BENZOIMIDAZOL-2-OL | [CAS]
2034-23-3 | [Synonyms]
NSC10379
5-CHLOROBENZIMIDAZOLONE
5-CHLORO-1H-BENZOIMIDAZOL-2-OL
5-chloro-1H-benzo[d]imidazol-2-ol
5-chloro-2H-benzo[d]imidazol-2-one
5-Chloro-1H-benzo[d]imidazol-2(3H)
5-Chloro-1H-benzo[d]iMidazol-2(3H)-one
5-Chloro-1,3-dihydrobenzoimidazol-2-one
5-CHLORO-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE
2H-BenziMidazol-2-one, 5-chloro-1,3-dihydro-
5-chloro-1,3-dihydro-2H-benzo[d]imidazol-2-one
2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-(9CI) | [Molecular Formula]
C7H5ClN2O | [MDL Number]
MFCD00493866 | [MOL File]
2034-23-3.mol | [Molecular Weight]
168.58 |
| Chemical Properties | Back Directory | [Melting point ]
324-326 °C | [Boiling point ]
160.1±19.0 °C(Predicted) | [density ]
1.416±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
11.18±0.30(Predicted) | [color ]
Grey to Dark Grey |
| Hazard Information | Back Directory | [Uses]
5-Chloro-2-benzimidazolinone is used in preparation of sea urchin like cobalt based photocatalyst and application in the conversion of carbon dioxide to prepare benzoazepine thereof. | [Synthesis]
Example 66: General procedure for the synthesis of 5-chloro-1H-benzo[d]imidazol-2(3H)-ones from 4-chloro-1,2-benzenediamine and N,N'-carbonylbisimidazole
66A. 4-Chloro-1,2-benzenediamine (20 g, 140.27 mmol) was dissolved in tetrahydrofuran (THF, 250 mL), followed by batch addition of N,N'-carbonyl diimidazole (27.3 g, 168.32 mmol). The reaction mixture was stirred at 25 °C overnight. Upon completion of the reaction, the black reaction solution was evaporated to dryness, quenched with 2.0 N hydrochloric acid (100 mL) and filtered. The resulting solid was dissolved in methanol and purified by a 50 g SCX column to give 5-chloro-1H-benzo[d]imidazol-2(3H)-one (14.6 g, 61.7% yield) as a yellow solid. Mass spectrum (ESI+) m/z: [M+H]+ 169; HPLC retention time tR = 1.14 min; 1H NMR (399.902 MHz, DMSO-d6) δ 6.91 (1H, d), 6.97-6.94 (2H, m), 10.74 (2H, s). | [References]
[1] Journal of Medicinal Chemistry, 2006, vol. 49, # 12, p. 3719 - 3742
[2] Patent: WO2008/75109, 2008, A1. Location in patent: Page/Page column 167-168
[3] Journal of Heterocyclic Chemistry, 1965, vol. 2, p. 41,43
[4] Archiv der Pharmazie, 2000, vol. 333, # 5, p. 123 - 129
[5] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 3, p. 719 - 723 |
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