Triazolo [4, 5-d] pyrimidines. I. On the Reaction of 7-Chloro-3-methyl-3H-1, 2, 3-triazolo [4, 5-d] pyrimidine with Nucleophile
نویسندگان
چکیده
منابع مشابه
6-Butyl-5-(4-methoxyphenoxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
In the title compound, C(21)H(21)N(5)O(2), the triazolopyrimidine ring system is essentially planar [maximum displacement = 0.021 (4) Å] and forms dihedral angles of 41.17 (9) and 67.99 (8)° with the phenyl and benzene rings, respectively. The n-butyl side chains is disordered over two positions with an ccupancy ratio of 0.77:0.23. An intra-molecular C-H⋯O hydrogen-bonding inter-action stabiliz...
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In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intra-molecular C-H⋯O and C-H⋯N hydrogen-bonding inter-actions occur within the molecule. In the crystal structure, mol-ecules are linked by i...
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There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(21)H(18)N(4)O(4). The substituted benzopyran portion of one of the independent mol-ecules exhibits disorder [occupancy 0.5248 (18):0.4752 (18)], which was modelled by using two sets of atomic positions and restraints on the chemically equivalent bond lengths and angles. The central, partial...
متن کاملTheoretical characterization of 5 - oxo , 7 - oxo and 5 - oxo - 7 - amino [ 1 , 2 , 4 ] triazolo [ 1 , 5 - a ] pyrimidines †
Accurate ab initio calculations at the B3LYP/6-311 G** level have been performed on anionic and neutral structures of 4,5-dihydro-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine, 4,7-dihydro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine, and 4,5-dihydro-7-amino-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine compounds. The quality of the theoretical results has been tested against the experimental X-ray structures for the...
متن کامل7-Chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,6-dihydro-1H-pyrazolo[4,3-d]pyrimidine
In the title compound, C(17)H(21)ClN(4)O, the benzene ring is oriented at dihedral angles of 1.59 (3) and 1.27 (3)° with respect to the pyrimidine and pyrazole rings, while the dihedral angle between the pyrimidine and pyrazole rings is 0.83 (3)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a planar (r.m.s. deviation 0.004 Å) six-membered ring.
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ژورنال
عنوان ژورنال: YAKUGAKU ZASSHI
سال: 1979
ISSN: 0031-6903,1347-5231
DOI: 10.1248/yakushi1947.99.10_1031