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Abstract
In the title compound, C14H13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44 (11)°. In the crystal, molecules are linked by a weak C—H⋯π interaction, forming a helical chain along the c axis.
Highlights
In the title compound, C14H13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap
The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44 (11)
As an extension of our work to develop complex heterocyclic skeletons as leads for potential pharmaceutical agents (Okuda et al, 2011), we found that tricyclic 5-amino-1,2-dihydrofuro[2,3-c]isoquinolines (Okuda et al, 2010), accessible by a one step base-induced Truce-Smiles rearrangement of 2-(3-cyanopropoxy)benzonitriles, showed bronchodilator activity
Summary
Tmin = 0.931, Tmax = 0.991 a Laboratory of Medicinal and Pharmaceutical Chemistry, Gifu Pharmaceutical. University, Gifu 501-1196, Japan, bLaboratory of Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Okayama University, Okayama 700-8530, Japan, c. Research Core for Interdisciplinary Sciences, Okayama University, Okayama 7008530, Japan, and dDepartment of Chemistry, Faculty of Science, Okayama. R factor = 0.031; wR factor = 0.079; data-to-parameter ratio = 20.6. Cg1 is the centroid of the C1/N1/C2–C4/C9 ring. C14H13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44 (11). Molecules are linked by a weak C—H interaction, forming a helical chain along the c axis
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