(Z,Z)-Muconaldehyde reacted with primary amines to give N-substituted-2(2'-oxoethyl)-pyrroles, which were reduced to N-substituted-2-(2'-hydroxyethyl)-pyrroles by sodium borohydride. The pyrrole-forming reaction is exhibited by valine and its methyl ester, and is being developed with terminal valine in hemoglobin as a means of dose monitoring (Z,Z)-muconaldehyde, a putative metabolite of benzen...

In the title mol-ecule, C(15)H(14)N(2)O(2), the substituted benzene ring forms a dihedral angle of 4.15 (1)° with the benzimidazole ring system. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the solid state, mol-ecules are linked into chains along the [001] via inter-molecular bifurcated N-H⋯(O,O) hydrogen bonds, which generate R(1) (2)(5) ring motifs. The crystal pack...

In the title mol-ecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acet-oxy-phenyl group is substituted axially to this ring. The thia-zole ring is essentially planar [with a maximum deviation of 0.012 (2) Å for the N atom] and forms dihedral angles of 17.65 (13) and 88.95 (11)° with the bromo- and acet-oxy-substituted benzene rings, respectively. The...

In the title compound, C(28)H(21)ClN(4)O(4), the benzofuran ring systems make dihedral angles of 7.43 (8) and 30.92 (9)° with the chloro-substituted benzene ring. The dihedral angle between the two benzofuran ring systems is 27.41 (7)°. The two benzofuran rings are connected to the chloro-substituted benzene ring through C-N-N=C and C-N-N=C-C bridges which are nearly planar [maximum deviations ...

The asymmetric unit of the title compound, C(22)H(20)N(2)O(4)·H(2)O, comprises a substituted benzimidazole molecule and a water mol-ecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle between the two hydr-oxy-substituted benzene rings is 82.20 (5)°. In the crystal structure, inter-mo...

In the title compound, [Mo(C(37)H(53)N(3))(CO)(3)], the Mo atom to ring-centroid distance in the η(6)-coordinated tricarbonyl-molybdenum group is 1.958 (1) Å. The three C O groups are pseudo-octa-hedrally disposed with C-Mo-C angles ranging from 80.7 (1) to 87.4 (1)°. The two uncoordinated 2,6-diisopropyl-phenyl-substituted benzene rings form dihedral angles of 75.96 (8) and 78.01 (9)° with the...

Biotransformations of a series of ortho-, meta- and para-substituted ethylbenzene and propylbenzene substrates have been carried out, using Pseudomonas putida UV4, a source of toluene dioxygenase (TDO). The ortho- and para-substituted alkylbenzene substrates yielded, exclusively, the corresponding enantiopure cis-dihydrodiols of the same absolute configuration. However, the meta isomers, genera...

The first total synthesis of the pyrrolo[2,3- c ]quinoline alkaloid trigonoine B ( 1 ) was accomplished via a six-step sequence involving construction an N -substituted 4-aminopyrrolo[2,3- framework electrocyclization 2-(pyrrol-3-yl)benzene containing carbodiimide moiety as 2-azahexatriene system. employed afforded in 9.2% overall yield. described route could be for preparation various 4-aminop...

Calculations are presented on six-π-electron N-B-N- and B-N-B-substituted benzene rings, [C(3)BN(2)H(6)](+) and [C(3)NB(2)H(6)](-), and their isomers. These compounds display a wide range of thermodynamic stability in those molecules, with N-B-N connectivity favored strongly in the cation, B-N-B in the anion. That stability order is easily understood using the charge distribution in a benzene p...

In this article we show synthetic pathways to [6.8](n)cyclacenes demonstrated by the de novo synthesis of [6.8](3)cyclacene as the first purely hydrocarbon cyclacene and of precursors for [6.8](4)cyclacene. The design of the de novo synthesis by exploring alternative pathways is discussed and various precursors are shown. Crucial to the synthesis of [6.8](3)cyclacene were two cyclization steps....