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| CAS No.: | 1022150-12-4 |
|---|---|
| Name: | 3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[3,4-d]pyriMidin-4-ylaMine |
| Article Data: | 35 |
| Molecular Structure: | |
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| Formula: | C22H22N6O |
| Molecular Weight: | 386.456 |
| Synonyms: | 3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[3,4-d]pyriMidin-4-ylaMine;(R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine;3-(4-Phenoxy-phenyl)-1-(R)-piperidin-3-yl-1H-pyrazolo[3,4-d]pyriMidin-4-ylaMine;Btk inhibitor 1 (R enantioMer);ibrutinib N-1;3-(4-phenoxyphenyl)-1-(3-piperidyl)pyrazolo[3,4-d]pyriMidin-4-aMine;Ibrutinib intermeidate N-1;3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| EINECS: | 200-001-8 |
| Density: | 1.39±0.1 g/cm3(Predicted) |
| Boiling Point: | 626.3±55.0 °C(Predicted) |
| PSA: | 90.88000 |
| LogP: | 4.70230 |
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 1022150-11-3
(3R)‐4‐amino‐3‐(4-phenoxyphenyl)‐1‐(1‐tert-butoxycarbonylpiperidine-3-yl)-1H-pyrazolo[3,4-d]pyrimidine
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 2h; Inert atmosphere; | 100% |
| With hydrogenchloride In methanol; water at 50℃; | 98% |
| With hydrogenchloride In methanol at 20℃; for 2h; | 92% |
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal | 99% |
- 51067-38-0
4-phenoxyphenylboronic acid
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water for 5h; Solvent; Reagent/catalyst; Suzuki Coupling; Inert atmosphere; Reflux; | 90% |
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water for 5h; Reagent/catalyst; Solvent; Suzuki Coupling; Inert atmosphere; Reflux; | 90% |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate In tetrahydrofuran at 35℃; Inert atmosphere; | 88.6% |
- 51067-38-0
4-phenoxyphenylboronic acid
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water for 5h; Suzuki Coupling; Inert atmosphere; Reflux; | 87.1% |
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane for 4h; Inert atmosphere; Reflux; | 0.5 g |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With diethylazodicarboxylate In 1,4-dioxane at 20℃; Inert atmosphere; | 85.3% |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 143900-44-1
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 25℃; Temperature; Mitsunobu Displacement; Inert atmosphere; Large scale; | 85% |
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 30℃; for 25h; Concentration; Temperature; | 80.45% |
| Stage #1: 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 5h; Mitsunobu Displacement; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 20℃; for 5h; | 69% |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 1126736-20-6
(S)-N-trifluoroacetyl-3-hydroxypiperidine
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| Stage #1: 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; (S)-N-trifluoroacetyl-3-hydroxypiperidine With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20 - 30℃; for 4.5h; Mitsunobu Displacement; Inert atmosphere; Stage #2: With water; sodium hydroxide In methanol at 20 - 30℃; for 2h; Stage #3: With hydrogenchloride In methanol; water at 45 - 55℃; for 3h; | 84.8% |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With azodicarboxylic acid diphenyl ester In ethyl acetate at 50℃; Inert atmosphere; | 81.3% |
- 330786-24-8
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 94944-69-1
(S)-3-hydroxypiperidine-N-carboxylate benzyl ester
- 1022150-12-4
(R)-3-(4-phenoxyphenyl)-1-(1-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile) In acetonitrile at 0℃; Inert atmosphere; Large scale; | 74.4% |
