benziMidazolo<1,2-a>benziMidazole
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benziMidazolo<1,2-a>benziMidazole
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CAS No:
28890-99-5
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Formula:
C13H9N3
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Chemical Name:
benziMidazolo<1,2-a>benziMidazole
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Synonyms:
5H-Benzimidazo[1,2-a]benzimidazole;5H-Benzo[d]benzo[4,5]imidazo[1,2-a]imidazole;6H-benzimidazolo[1,2-a]benzimidazole;SCHEMBL1698065;benzimidazo[1,2-a]benzimidazole;KS-00000RLD;AKOS027322406;ZINC116879572;AK313422;DS-11912
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CAS No:
benziMidazolo<1,2-a>benziMidazole Use and Manufacturing
b) 11.3 g (50.0 mmol) 3-(2-Aminophenyl)-1H-benzimidazol-2-one are added to 50 g polyphosphoric acid at 180° C. The reaction mixture is stirred at 220° C. for 3 h under nitrogen and poured into water. The product is filtered off and washed with water and methanol. 50 ml 30percent sodium hydroxide solution are added to a suspension of the product in 200 ml THF. The mixture is stirred for 30 minutes and the organic phase is separated, dried with magnesium sulfate and the solvent is distilled off. 9.26 g of compound 2 are obtained (yield: 89percent).b) 11.3 g (50.0 mmol) 3-(2-Aminophenyl)-1 H-benzimidazol-2-one are added to 50 g poly- phosphoric acid at 180 °C. The reaction mixture is stirred at 220 °C for 3 h under nitrogen and poured into water. The product is filtered off and washed with water and methanol. 50 ml 30percent sodium hydroxide solution are added to a suspension of the product in 200 ml THF. The mixture is stirred for 30 minutes and the organic phase is separated, dried with magnesium sulfate and the solvent is distilled off. 9.26 g of compound 2 are obtained (yield: 89 percent).1 H NMR (400 MHz, DMSO-d6): δ 7.88 (d, J= 7.7 Hz, 2H), 7.39 (d, J= 8.0 Hz, 2H), 7.12-7.16 (m, 2H), 6.97-7.01 (m, 2H).a) 11 .3 g (50.0 mmol) 3-(2-aminophenyl)-1 H-benzimidazol-2-one are added to 50 g polyphosphoric acid at 180 °C. The reaction mixture is stirred at 220 °C for 3 h under nitrogen and poured into water. The product is filtered off and washed with water and methanol. 50 ml 30percent sodium hydroxide solution are added to a suspension of the product in 200 ml THF. The mixture is stirred for 30 minutes and the organic phase is separated, dried with magnesium sulfate and the solvent is distilled off. 9.26 g of 6H-benzimidazolo[1 , 2-a]benzimidazole are obtained (yield: 89 percent). 1 H NMR (400 MHz, DMSO-d6): δ 7.88 (d, J= 7.7 Hz, 2H), 7.39 (d, J= 8.0 Hz, 2H), 7.12-7.16 (m, 2H), 6.97-7.01 (m, 2H).
Computed Properties
Molecular Weight:207.23
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:207.079647300
Monoisotopic Mass:207.079647300
Topological Polar Surface Area:33.1
Heavy Atom Count:16
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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