| Identification | Back Directory | [Name]
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid | [CAS]
1211443-58-1 | [Synonyms]
Ribociclib Intermediate 1
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-cyclopentyl- | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C12H12ClN3O2 | [MDL Number]
MFCD29041989 | [MOL File]
1211443-58-1.mol | [Molecular Weight]
265.696 |
| Chemical Properties | Back Directory | [density ]
1.61±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
3.63±0.30(Predicted) | [Appearance]
White to light yellow Solid | [InChI]
InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18) | [InChIKey]
LXCZVGKSFJMLRO-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C2C=C(C(O)=O)N(C3CCCC3)C2=N1 |
| Hazard Information | Back Directory | [Uses]
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid can be used as an intermediate in organic and pharmaceutical synthesis. | [Synthesis]
2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde (2.69 g, 11 mmol) was used as starting material and dissolved in DMF. Subsequently, Oxone (7.2 g, 12 mmol) was added to this solution and the reaction was stirred at room temperature for 6 hours. After completion of the reaction, water was added to the reaction mixture to precipitate the target product. The yellow solid, 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (2.69 g, 85% yield) was collected by filtration. Mass spectrum (ESI) m/z 266 [M + H]+. | [References]
[1] Patent: WO2010/20675, 2010, A1. Location in patent: Page/Page column 91 |
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