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1-(12-Azido-n-dodec-yl)-4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-3-yl)meth-yl]-1H-1,2,3-triazole.

ABSTRACT: The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with 1,12-diazido-n-dodecane in the presence of catalysts leads to the formation of the title compound, C(38)H(46)N(8)O(2). The seven-membered diazepinyl ring adopts a boat conformation with the azido-dodecyl-triazolylmethyl-bearing C atom as the prow and the fused-ring C atoms as the stern. The octyltriazolylmethyl substituent occupies an axial position.

SUBMITTER: Jabli H

PROVIDER: S-EPMC2980277 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1-(12-Azido-n-dodec-yl)-4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-3-yl)meth-yl]-1H-1,2,3-triazole.

Jabli Hind H Ouazzani Chahdi F F Saffon Natalie N Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with 1,12-diazido-n-dodecane in the presence of catalysts leads to the formation of the title compound, C(38)H(46)N(8)O(2). The seven-membered diazepinyl ring adopts a boat conformation with the azido-dodecyl-triazolylmethyl-bearing C atom as the prow and the fused-ring C atoms as the stern. The octyltriazolylmethyl substituent occupies an axial position. ...[more]

PMID: 21580114

Similar Datasets

4-[(1,5-Dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-3-yl)meth-yl]-1-n-octyl-1H-1,2,3-triazole.

Project description:The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with 1-azido-n-octane in the presence of catalysts leads to the formation of the title compound, C(34)H(39)N(5)O(2), which features a phenyl-ene ring fused with a seven-membered diazepinyl ring. The latter ring adopts a boat conformation with the octyltriazolylmethyl-bearing C atom as the prow and the fused-ring C atoms as the stern. The octyltriazolylmethyl substituent occupies an axial position.

| S-EPMC2980118 | biostudies-literature

Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

Project description:The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with ethyl azido-acetate in the presence of copper sulfate pentahydrate and sodium ascorbate leads to the formation of the title regioisomer, C(30)H(29)N(5)O(4), which features a phenyl-ene ring fused with a seven-membered diazepinyl ring. The latter ring adopts a boat conformation (with the methyl-triazolylacetate-bearing C atom as the prow and the fused-ring C atoms as the stern). The benzyl groups connected to the diazepinyl ring jprotrude from the sides; the methyl-triazolylacetate substituent occupies an axial position.

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Ethyl {4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1,2,3-triazol-1-yl}acetate.

Project description:In the title compound, C(18)H(21)N(5)O(4), the diazepine ring adopts a boat conformation with the triazolylmethyl-bearing C atom as the prow and the C atoms at the ring junction as the stern.

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3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione.

Project description:The title compound, C(21)H(21)N(5)O(2), is a 1,4-dimethyl-1,2,3-triazole having dimethyl-benzodiazepindione and phenyl substituents on each methyl group; the substituents are positioned on opposite sides of the five-membered ring. The seven-membered fused-ring of the larger substituent adopts a boat-shaped conformation (with the methine C atom as the prow).

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3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione monohydrate.

Project description:In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-H?O and O-H?N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell.

| S-EPMC2983709 | biostudies-literature

3-Allyl-1,5-dibenzyl-1,5-benzodiazepine-2,4-dione.

Project description:The title compound, C(26)H(24)N(2)O(2), features a benzene ring fused with a seven-membered diazepine ring; the latter ring adopts a boat conformation (with the allyl-dimethyl-amino-methyl-bearing C atom as the prow and the fused-ring C atoms as the stern).

| S-EPMC2972173 | biostudies-literature

1-Benzyl-4-(naphthalen-1-yl)-1H-1,2,3-triazole.

Project description:In the title compound, C(19)H(15)N(3), the benzyl group is almost perpendicular to the triazole ring [dihedral angle = 80.64 (8)°], while the napthyl group makes an angle of 30.27 (12)° with the plane of the triazole ring. This conformation is different from the 1-benzyl-4-phenyl-1H-1,2,3-triazole analogue, which has the benzyl ring system at an angle of 87.94° and the phenyl group at an angle of 3.35° to the plane of the triazole ring.

| S-EPMC3151948 | biostudies-literature

1,5-Dibenzyl-3-propargyl-1,5-benzo-diazepine-2,4-dione.

Project description:The title compound, C(26)H(22)N(2)O(2), features a benzene ring fused with a seven-membered diazepine ring; the latter ring adopts a boat conformation (with the propargylallyl-bearing C atom as the prow and the fused-ring C atoms as the stern). The phenyl ring of one of the two benzyl substituents is disordered over two positions in a 0.812?(11):0.188?(11) ratio.

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1-(3-Bromo-prop-yl)-4-(2-pyrid-yl)-1H-1,2,3-triazole.

Project description:In the structure of the title compound, C(10)H(11)BrN(4), the plane of the substituted 1,2,3-triazole ring is tilted by 14.84 (10)° with respect to the mean plane of the pyridine ring. The pyridine and closest triazole N atoms adopt an anti arrangement which removes any lone pair-lone pair repulsions between the N atoms. This conformation is further stabilized by weak intermolecular C-H⋯N inter-actions. There are two mol-ecules in the unit cell, which form a centrosymmetric head-to-tail dimer. The dimers are stabilized through π-π inter-actions [centroid-centroid distance = 3.733 (4) Å and mean inter-planar distance = 3.806 (12) Å] between the substituted 1,2,3-triazole ring and the pyridine rings in adjacent mol-ecules. Each dimer inter-acts with two neighbouring dimers above and below, forming a slipped stack of dimers through the crystal. The 3-bromo-propyl chain sits over the pyridine ring of a neighbouring mol-ecule and the triazole rings of nearby mol-ecules are adjacent.

| S-EPMC2977690 | biostudies-literature

Tetra-aqua-{1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole}sulfato-cadmium dihydrate.

Project description:In the title complex, [Cd(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Cd(II) ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand and by five O atoms from four water mol-ecules and one monodentate sulfate anion in a distorted octa-hedral geometry. The sulfate tetra-hedron is rotationally disordered over two positions in a 0.651 (12):0.349 (12) ratio. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

| S-EPMC3200735 | biostudies-literature

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