CAS 365996-89-0

6-(1,1-Dimethylethyl) 2-methyl 5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

Description:

6-(1,1-Dimethylethyl) 2-methyl 5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate, with the CAS number 365996-89-0, is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrolo-pyrimidine framework. This compound features two carboxylate groups, contributing to its potential as a versatile building block in organic synthesis and medicinal chemistry. The presence of the tert-butyl group (1,1-dimethylethyl) and a methyl group enhances its lipophilicity, which may influence its biological activity and solubility properties. The dihydro form indicates that it has undergone partial hydrogenation, which can affect its reactivity and stability. As a dicarboxylate, it may participate in various chemical reactions, including esterification and amidation, making it useful in the development of pharmaceuticals or agrochemicals. Overall, this compound's unique structural features and functional groups suggest potential applications in drug discovery and development, although specific biological activities would require further investigation.

Formula: C₁₃H₁₇N₃O₄

InChI: InChI=1S/C13H17N3O4/c1-13(2,3)20-12(18)16-6-8-5-14-10(11(17)19-4)15-9(8)7-16/h5H,6-7H2,1-4H3

InChI key: InChIKey=SFGJZWXBHBVJPV-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC=2C(C1)=CN=C(C(OC)=O)N2

Synonyms:

• 6H-Pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylic acid, 5,7-dihydro-, 6-(1,1-dimethylethyl) 2-methyl ester
• 6-(1,1-Dimethylethyl) 2-methyl 5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

6-tert-Butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

CAS: 365996-89-0

Versatile small molecule scaffold

Formula: C₁₃H₁₇N₃O₄

Purity: Min. 95%

Molecular weight: 279.29 g/mol

Ref: 3D-QPA99689