Category:
Advanced Intermediates
CAS NO:
330786-24-8
Standard:
ChP,

| Product Name: | 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine |
| Synonyms: | 2) 3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE;ibrutinib N-2;1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 3-(4-phenoxyphenyl)-;Ibrutinib intermeidate N-2;5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-y;Ibrutinib INT1;Ibrutinib Impurity 8;-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine |
| CAS: | 330786-24-8 |
| MF: | C17H13N5O |
| MW: | 303.32 |
| EINECS: | 810-090-0 |
| Product Categories: | Ibrutinib;Anticancer;330786-24-8 |
| Mol File: | 330786-24-8.mol |
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| 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine Chemical Properties |
| Melting point | >262oC (dec.) |
| Boiling point | 577.4±50.0 °C(Predicted) |
| density | 1.380±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly), Ethanol (Slightly) |
| pka | 10.40±0.30(Predicted) |
| form | Solid |
| color | Pale Brown to Brown |
| InChI | InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/p-10H,(H3,18,19,20,21,22) |
| InChIKey | YYVUOZULIDAKRN-UHFFFAOYSA-N |
| SMILES | C1=NC(N)=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NNC2=N1 |