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CAS No.: | 330786-24-8 |
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Name: | 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C17H13N5O |
Molecular Weight: | 303.323 |
Synonyms: | 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine;3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine;4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidine;5-(4-Phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine;ibrutinib N-2;1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 3-(4-phenoxyphenyl)-;Ibrutinib intermeidate N-2;Ibrutinib INT1 |
EINECS: | 810-090-0 |
Density: | 1.380±0.06 g/cm3(Predicted) |
Boiling Point: | 577.4±50.0 °C(Predicted) |
PSA: | 89.71000 |
LogP: | 3.97560 |
formamide
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
at 150℃; for 8h; | 90% |
at 160 - 180℃; for 6h; | 51% |
at 180℃; for 4h; |
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With ammonia In methanol for 12h; Reflux; | 89.2% |
formamide
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
Stage #1: 5-amino-3-(4-phenoxy)phenyl-4-cyano-2,3-dihydropyrazole; formamide With formic acid at 115 - 120℃; for 4h; Stage #2: With dihydrogen peroxide at 45 - 50℃; for 3h; Temperature; | 88.5% |
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 20℃; for 1h; Solvent; | 87.3% |
With triethylamine; hydrazine In tetrahydrofuran; 2-methyltetrahydrofuran at 95℃; for 2h; |
4-Phenoxybenzoic acid
4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; copper (I) acetate; caesium carbonate In dimethyl sulfoxide at 140℃; for 10h; Inert atmosphere; | 83.7% |
4-phenoxyiodobenzene
4-Aminopyrazolo<3,4-d>pyrimidin
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere; | 82% |
4-Phenoxybenzoic acid
3-bromo-4-aminopyrazolo<3,4-d>pyrimidine
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With 1,10-Phenanthroline; sodium carbonate; copper(I) bromide In N,N-dimethyl acetamide at 150℃; for 24h; Inert atmosphere; | 81.5% |
formamidine acetic acid
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
In toluene for 4h; Reflux; | 80% |
4-phenoxyphenylboronic acid
4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 180℃; for 0.166667h; Suzuki Coupling; Microwave irradiation; Inert atmosphere; | 79% |
With tetrakis(triphenylphosphine) palladium(0); potassium phosphate monohydrate In 1,4-dioxane; water for 24h; Inert atmosphere; Reflux; | 77% |
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 120℃; for 24h; Inert atmosphere; | 75% |
4-phenoxyphenylboronic acid
3-bromo-4-aminopyrazolo<3,4-d>pyrimidine
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 135℃; for 30h; Inert atmosphere; | 78.8% |
With tetrakis(triphenylphosphine) palladium(0); potassium phosphate tribasic trihydrate In 1,4-dioxane; water at 135℃; Inert atmosphere; | 78.8% |