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CAS No.: | 172152-35-1 |
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Name: | 2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H18N4OS |
Molecular Weight: | 350.444 |
Synonyms: | 2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole;5-(1H-pyrrol-1-yl)-2-[(4-methoxy-3-methyl-2-pyridyl)-methylthio]-1-hydro-benzimidazole |
Density: | 1.30±0.1 g/cm3(Predicted) |
Boiling Point: | 590.4±60.0 °C(Predicted) |
PSA: | 81.03000 |
LogP: | 4.35790 |
5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol
2-chloromethyl-4-methoxy-3-methylpyridine hydrochloride
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With sodium hydroxide at 40℃; Solvent; Reagent/catalyst; | 89.7% |
With sodium hydroxide In methanol at 50℃; for 1.5h; | 81.2% |
cis,trans-2,5-dimethoxytetrahydrofuran
5-amino-2-[(4-methoxy-3-methyl-2-pyridyl)-methylthio]-1-hydro-benzimidazole
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With acetic acid at 120℃; for 0.0833333h; | 38.1% |
With acetic acid for 0.0833333h; Product distribution / selectivity; Heating / reflux; |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With sodium hypochlorite; sodium hydroxide In tetrahydrofuran; water at 0 - 5℃; for 1.5h; Solvent; | 94.7% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
ilaprazole
Conditions | Yield |
---|---|
With peracetic acid; sodium tungstate; C94H124N6 In water at 0℃; for 8h; Inert atmosphere; | 90% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
ilaprazole
Conditions | Yield |
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With sodium molybdate; C78H60Cl8N6; dihydrogen peroxide In water at 0℃; for 8h; Inert atmosphere; | 90% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With tert.-butylnitrite; dihydrogen peroxide In tert-butyl alcohol at 0 - 25℃; for 10h; | 83% |
Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With triethylamine In ethanol at 30℃; for 0.166667h; pH=8-9; Stage #2: With dihydrogen peroxide In ethanol for 6h; Reagent/catalyst; | 75% |
With 3-chloro-benzenecarboperoxoic acid In chloroform at -40℃; for 0.333333h; | 64% |
With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; | 45.5% |
With NADPH; cytochrome P450 In aq. phosphate buffer at 37℃; for 0.75h; pH=7.4; Enzymatic reaction; |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With titanium(IV) isopropylate; tert.-butylhydroperoxide; water; (R)-1,1'-Bi-2-naphthol; N-ethyl-N,N-diisopropylamine In toluene at 25℃; for 16h; Product distribution / selectivity; | 60.9% |
With titanium(IV) isopropylate; L-(+)-diisopropyl tartrate; Cumene hydroperoxide; water; N-ethyl-N,N-diisopropylamine In toluene at 25 - 30℃; for 3.5 - 5.5h; Product distribution / selectivity; | 55.3% |
With titanium(IV) isopropylate; Cumene hydroperoxide; water; (R)-1,1'-Bi-2-naphthol; N-ethyl-N,N-diisopropylamine In toluene at 25℃; for 13h; Product distribution / selectivity; | 53.2% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate In chloroform at 20 - 31℃; for 1h; Stage #2: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In chloroform at 31℃; for 18h; Product distribution / selectivity; | 49.7% |
Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate In chloroform at 20 - 31℃; for 1h; Stage #2: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In chloroform at 31℃; for 18h; Product distribution / selectivity; | 49.7% |
Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate In chloroform at 20 - 80℃; for 0.0833333h; Molecular sieve; Stage #2: With water In chloroform at 20 - 80℃; for 1h; Molecular sieve; Stage #3: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In chloroform at 20 - 80℃; for 16 - 18h; Product distribution / selectivity; Molecular sieve; | 35.5% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate In dichloromethane for 0.0833333h; Stage #2: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In dichloromethane; water at 20℃; for 22h; Product distribution / selectivity; | A n/a B 37.7% |
Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate In chloroform for 0.0833333h; Stage #2: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In chloroform; water at 20 - 30℃; for 1 - 18h; Product distribution / selectivity; | A n/a B 32.7% |
Stage #1: 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate; 4 A molecular sieve In toluene Stage #2: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In water; toluene Stage #3: With Cumene hydroperoxide; N-ethyl-N,N-diisopropylamine In chloroform at 20 - 30℃; for 1 - 18h; Product distribution / selectivity; | A n/a B 32.7% |
2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
Conditions | Yield |
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With dihydrogen peroxide; acetic acid In methanol at 45℃; | 3.58 g |