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Basic Information
CAS No.: 330786-24-8
Name: 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
Molecular Structure:
Molecular Structure of 330786-24-8 (5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine)
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
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Synthetic route

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

77287-34-4, 77287-35-5, 60100-09-6

formamide

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
at 150℃; for 8h;90%
at 160 - 180℃; for 6h;51%
at 180℃; for 4h;

C17H11ClN4O

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With ammonia In methanol for 12h; Reflux;89.2%

5-amino-3-(4-phenoxy)phenyl-4-cyano-2,3-dihydropyrazole

77287-34-4, 77287-35-5, 60100-09-6

formamide

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
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%

(4-amino-6-chloropyrimidin-5-yl)(4-phenoxyphenyl)methanone

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 20℃; for 1h; Solvent;87.3%
With triethylamine; hydrazine In tetrahydrofuran; 2-methyltetrahydrofuran at 95℃; for 2h;
2215-77-2

4-Phenoxybenzoic acid

151266-23-8

4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With [2,2]bipyridinyl; copper (I) acetate; caesium carbonate In dimethyl sulfoxide at 140℃; for 10h; Inert atmosphere;83.7%
2974-94-9

4-phenoxyiodobenzene

2380-63-4

4-Aminopyrazolo<3,4-d>pyrimidin

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With potassium tert-butylate In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere;82%
2215-77-2

4-Phenoxybenzoic acid

83255-86-1

3-bromo-4-aminopyrazolo<3,4-d>pyrimidine

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With 1,10-Phenanthroline; sodium carbonate; copper(I) bromide In N,N-dimethyl acetamide at 150℃; for 24h; Inert atmosphere;81.5%

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

3473-63-0

formamidine acetic acid

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
In toluene for 4h; Reflux;80%
51067-38-0

4-phenoxyphenylboronic acid

151266-23-8

4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
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%
51067-38-0

4-phenoxyphenylboronic acid

83255-86-1

3-bromo-4-aminopyrazolo<3,4-d>pyrimidine

330786-24-8

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
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%
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    Business Type:Lab/Research institutions

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    China (Mainland)  |  Contact Details

    Business Type:Other

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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    China (Mainland)  |  Contact Details

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     China (Mainland)  |  Contact Details

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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