2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid Chemical Properties

Density 

1.61±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 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

2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid Usage And 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

2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid(1211443-58-1)Related Product Information

• (2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidin-6-yl)Methanol
• 2-Chloro-7-cyclopentyl-N,N-dimethyl-H-pyrrolo[2,3-d]pyrimidine-6-carboxamide