Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c-octa-hydronaphtho[1',2':3,2]furo[5,4-b]pyrrolizine-4a-carboxyl-ate.

In the title compound, C(26)H(25)NO(3), both pyrrolidine rings adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The phenyl ring is oriented at an angle of 27.9 (1)° with respect to the naphthalene ring system.

Asymmetric synthesis of the potent HIV-protease inhibitor, nelfinavir.

An asymmetric synthesis of nelfinavir is described starting from acrolein and (S)-methyl phenyl sulfoxide. The key features include (a) stereoselective preparation of a beta-protected amino-gamma,delta-unsaturated sulfoxide by the reaction of an alpha-sulfinyl carbanion with an unsaturated t-butyl sulfinylimine, (b) stereoselective bromohydrin formation using the pendant sulfoxide group as an intramolecular nucleophile, and (c) use of commercially or readily prepared inexpensive starting materials.

Floating drug delivery of a locally acting H2-antagonist: an approach using an in situ gelling liquid formulation.

In the present work, a gastroretentive in situ gelling liquid formulation for controlled delivery of ranitidine was formulated using sodium alginate (low, medium and high viscosity grades), calcium carbonate (source of cations) and ranitidine. Prepared formulations were evaluated for viscosity, buoyancy lag time and buoyancy duration, drug content and in vitro drug release. Formulation variables such as concentration of sodium alginate, calcium carbonate and drug significantly affected the formulation viscosity, floating behavior and in vitro drug release.

A flexible enantioselective total synthesis of diospongins A and B and their enantiomers using catalytic hetero-Diels-Alder/Rh-catalyzed 1,4-addition and asymmetric transfer hydrogenation reactions as key steps.

A unified enantioselective route to total synthesis of diospongins A and B and their enantiomers has been developed employing achiral starting materials. All three stereocenters were introduced by means of catalytic reactions.

Lenalidomide, an antineoplastic drug, and its hemihydrate.

The crystal structures of lenalidomide [systematic name: (RS)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione], C13H13N3O3, (I), an antineoplastic drug, and its hemihydrate, C13H13N3O3.0.5H2O, (II), have been determined by single-crystal X-ray diffraction analysis.

Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts.

In lamotrigine [systematic name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine], C(9)H(7)Cl(2)N(5), (I), the asymmetric unit contains one lamotrigine base molecule. In lamotriginium chloride [systematic name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium chloride], C(9)H(8)Cl(2)N(5)(+).Cl(-), (II), the asymmetric unit contains one lamotriginium cation and one chloride anion, while in lamotriginium nitrate, C(9)H(8)Cl(2)N(5)(+).

A versatile route to (E)- and (Z)-2-hydroxy-3,4-unsaturated disubstituted sulfilimines and their haloamidation reaction.

Alpha-chloro ynones have been reduced using Noyori's Ru catalyst to furnish alpha-chloro propargylic alcohols with excellent enantioselectivity. These have been used as a common precursor for the preparation of (E)- and (Z)-2-hydroxy-3,4-unsaturated disubstituted sulfilimines. The latter serve as precursors for the highly regio- and stereoselective preparation of bromo carbamates.

Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate.

In 9H-adenine-1,7-diium hemioxalate chloride, C(5)H(7)N(5)(2+).0.5C(2)O(4)(2-).

Phytoextraction and accumulation of mercury in three plant species: Indian mustard (Brassica juncea), beard grass (Polypogon monospeliensis), and Chinese brake fern (Pteris vittata).

The objective of this research was to screen and search for suitable plant species to phytoextract mercury-contaminated soil. Our effort focused on using some of the known metal-accumulating wild-type plants since no natural plant species with mercury-hyperaccumulat ing properties has yet been identified. Three plant species were evaluated for their uptake efficiency for mercury: Indian mustard (Brassica juncea), beard grass (Polypogon monospeliensis), and Chinese brake fern (Pteris vittata).

Mapping the total phosphorus concentration of biosolid amended surface soils using LANDSAT TM data.

Conventional methods for soil sampling and analysis for soil variability in chemical characteristics are too time-consuming and expensive for multi-seasonal monitoring over large-scale areas. Hence, the objectives of this study are: 1) to determine changes in chemical concentrations of soils that are amended with treated sewage sludge; and 2) to determine if LANDSAT TM data can be used to map surface chemical characteristics of such amended soils. For this study, we selected two fields in NW Ohio, designated as F34 and F11, that had been applied with 34 and 11 ton acre(-1) of biosolids, respectively.

N4-tetradentate dicarboxyamidate/dipyridyl palladium complexes as robust catalysts for the Heck reaction of deactivated aryl chlorides.

Structurally well defined and thermally stable Pd(II) complexes, derived from N4-tetradentate dicarboxyamide/dipyridyl ligands, were evaluated as catalysts for the Heck reactions of deactivated aryl chlorides and olefins (see scheme). The concept of using an anionic carboxyamide as an ancillary ligand for palladium demonstrated here provides a new opportunity for the development of phosphine-free transition-metal catalysis.

Methyl 2-(2,2,4-trimethyl-6-tosyl-perhydro-1,3-dioxino[5,4-c]pyridin-5-yl)acetate.

The title compound, C(20)H(29)NO(6)S, crystallizes with two mol-ecules in the asymmetric unit, with similar conformations. The dioxane and pyridine rings adopt twist conformations in both mol-ecules. The packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

Darifenacin hydro-bromide.

In the title compound {systematic name: (S)-3-[(aminocar-bonyl)diphenylmethyl]-1-[2-(2,3-di-hy-dro-benzofuran-5-yl)ethyl]pyrrolidinium bromide}, C(28)H(31)N(2)O(2) (+)·Br(-), the pyrrolidine rings adopts an envelope conformation. The two phenyl rings make a dihedral angle of 72.5 (1)°.

2-Carboxy-anilinium bromide monohydrate.

The title compound, C(7)H(8)NO(2) (+)·Br(-)·H(2)O, is isomorphous with 2-carboxy-anilinium chloride monohydrate and contains an intra-molecular N-H⋯O hydrogen bond, forming an S(6) motif. The main inter-molecular inter-actions are of the N-H⋯O/Br and O-H⋯O/Br types. Hydrogen-bonding dimers are formed via the carboxyl groups and the uncoordinated water mol-ecule, with centrosymmetric R(4) (4)(12) ring motifs, in tandem with centrosymmetric R(8) (4)(16) ring motifs formed by the cations and bromide anions.

1,5-Dimethyl-3-oxo-2-phenyl-2,3-di-hy-dro-1H-pyrazol-4-aminium 2-hydroxy-benzoate.

In the title salt, C(11)H(14)N(3)O(+)·C(7)H(5)O(3) (-), the phenyl ring of the cation is oriented at an angle of 67.0 (1)° with respect to the five-membered pyrazolone ring. The carboxyl-ate plane of the anion is twisted out from the plane of the aromatic ring at an angle of 13.

Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines.

A series of highly substituted 2-perfluoroalkyl-3-iodoquinolines are prepared by two different methods in good to excellent yields under mild reaction conditions. The first method involves iodocyclization of perfluoroalkyl propargyl imines with I(2)-CAN. The second method involves iodocyclization of perfluoroalkyl propargyl amines using I(2) and ICl.

Halide salts of antimigraine agents eletriptan and naratriptan.

Molecules of eletriptan hydrobromide monohydrate (systematic name: (1S,2R)-1-methyl-2-{5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-ylmethyl}pyrrolidinium bromide monohydrate), C(22)H(27)N(2)O(2)S(+) x Br(-) x H(2)O, (I), and naratriptan hydrochloride (systematic name: 1-methyl-4-{5-[2-(methylsulfamoyl)ethyl]-1H-indol-3-yl}piperidinium chloride), C(17)H(26)N(3)O(2)S(+) x Cl(-), (II), adopt conformations similar to other triptans. The C-2 and C-5 substituents of the indole ring, both of which are in a region of conformational flexibility, are found to be oriented on either side of the indole ring plane in (I), whilst they are on the same side in (II). The N atom in the C-2 side chain is protonated in both structures and is involved in the hydrogen-bonding networks.

Multifidone: a novel cytotoxic lathyrane-type diterpene having an unusual six-membered A ring from Jatropha multifida.

Chemical examination of the stems of Jatropha multifida afforded a novel lathyrane-type diterpene, multifidone, having an unusual six-membered A ring. The structure of the compound was determined from detailed analysis of its 1D and 2D NMR spectra and X-ray crystallographic analysis. Its cytotoxicity was measured on four different cancerous cell lines.

Highly enantioselective carbon-carbon bond formation by Cu-catalyzed asymmetric [2,3]-sigmatropic rearrangement: application to the syntheses of seven-membered oxacycles and six-membered carbocycles.

A concise route for the syntheses of enantioenriched functionalized scaffolds of medium-sized oxacycles and carbocycles employing the chiral auxiliary-mediated Cu-catalyzed ylide formation/[2,3]-sigmatropic rearrangement as a key step was developed.

Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate.

In cytosinium succinate (systematic name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypropanoate), C(4)H(6)N(3)O(+) x C(4)H(5)O(4)(-), (I), the cytosinium cation forms one-dimensional self-assembling patterns by intermolecular N-H...

Diterpenoids from Jatropha multifida.

Chemical investigation on the stems of Jatropha multifida yielded two diterpenoids, multifolone and (4E)-jatrogrossidentadione acetate along with five known diterpenoids, a flavone and a coumarino-lignan. The structures of the compounds were settled by detailed analysis of their 1D and 2D NMR spectra. The X-ray crystallographic analysis of (4E)-jatrogrossidentadione acetate was also accomplished.

Gold(III) chloride-catalyzed three-component reaction: a facile synthesis of alkynyl derivatives of 1,2-dihydroquinolines and isoquinolines.

Gold(III) chloride is found to be an effective catalyst for the addition of alkynes on activated quinoline/isoquinolines to produce a series of alkynyl-substituted 1,2-dihydroquinolines and isoquinolines in a single-step operation. The easy availability of starting materials, convenient synthetic procedure, operational simplicity, and high regioselectivity makes this strategy very useful for the preparation of enyne derivatives of aza-aromatic compounds.

Preparation and evaluation of transdermal drug delivery system of etoricoxib using modified chitosan.

In the present investigation chitosan has been chemically modified by treating with two different aldehydes like acetaldehyde and propionaldehyde to form Schiff's bases. Schiff's bases of chitosan with acetaldehyde and propionaldehyde were named as polymer A and polymer B, respectively. Fourier Transform Infra Red (FTIR) spectral data have confirmed the reaction carried out on chitosan.

Two quinazolinones: a ring conformational study.

The molecules of (+/-)-2-(4-methoxyphenyl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one, C(23)H(22)N(2)O(2), (I), and (+/-)-2-(1,3-benzodioxol-5-yl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one, C(23)H(20)N(2)O(3), (II), have T-shaped forms in the crystal structure. The tetrahydropyrimidine ring in both structures adopts a sofa conformation. Both molecules are linked by N-H.

Almotriptan, an antimigraine agent, and its malate salt.

The crystal structures of almotriptan {systematic name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine}, C17H25N3O2S, and almotriptan malate {systematic name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanaminium malate, C17H26N3O2S+ x C4H5O5(-), a novel selective serotonin 1B/D agonist, have been determined in order to gain further insight into the structure-activity relationships of triptans. The two structures differ in the orientation of their sulfonylpyrrolidine side chains. A comparison with other triptans reveals that molecules of almotriptan, sumatriptan, zolmitriptan and rizatriptan can adopt two principal conformations.