Synthesis, Crystal Structure, DFT Calculations, Hirshfeld Surface Analysis and In Silico Drug-Target Profiling of ()-2-(2-(1,3-Dioxoisoindolin-2-yl)propanamido)benzoic Acid Methyl Ester.

The work here reflects synthesis, DFT studies, Hirshfeld charge analysis and crystal data exploration of pharmacologically important ()-2-(2-(1,3-dioxoisoindolin-2-yl)propanamido)benzoic acid methyl ester () to understand its properties for further chemical transformations. The methyl anthranilate () was produced by the esterification of anthranilic acid in an acidic medium. The phthaloyl-protected alanine () was rendered by the fusion of alanine with phthalic anhydride at 150 °C, followed by coupling with () furnished isoindole ().

Population dynamics of pelagic rotifers in Marala Headworks (Pakistan).

Research work was designed to investigate the density and diversity of pelagic rotifers in a Lake near Marala Headworks. The physico-chemical parameters of water such as pH, dissolved oxygen, temperature, electrical conductivity, transparency and turbidity were evaluated. Correlation between rotifers and these parameters was also studied.

DNA Barcoding: Molecular Identification and Phylogenetic Analysis of Pheretimoid Earthworm (Metaphire sp. and Amynthas sp.) Based on Mitochondrial Partial COI Gene from Sialkot, Pakistan.

The extremely difficult and challenging process is identifying pheretimoid species, genus Metaphire and Amynthas involving increased homoplasy in various morphological characteristics. The molecular identification, phylogenetic relationships, and evolutionary divergence time of earthworms belonging to the pheretimoid complex were investigated in this study using partial mitochondrial COI (cytochrome C oxidase subunit I) gene sequences ranging from 550-680 bp. Results revealed that 86 pheretimoid earthworms were morphologically different from a total of 342 mature worms.

A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies.

The use of microwave (MW) irradiation in organic synthesis has become increasingly popular within the pharmaceutical and academic arenas because it is a new enabling technology for drug discovery and development. It is a rapid way of synthesis, which involves faster reaction rates and high selectivity to conventional heating method of syntheses. The MW-assisted 7-exo-tet cyclization of N-acylanthranilic acids afforded (3R)-3-alkyl-4,1-benzoxazepines-2,5-diones in very short duration (20 min) with extraordinary high yields in comparison to conventional heating mode of synthesis.

Correction to: An efficient protocol for the synthesis of highly sensitive indole imines utilizing green chemistry: optimization of reaction conditions.

In the original publication, one of the co-authors name Sana Jamshaid was missed out. The correct authors' group is updated in this correction.

An efficient protocol for the synthesis of highly sensitive indole imines utilizing green chemistry: optimization of reaction conditions.

Novel and highly sensitive indole-based imines have been synthesized. Their synthesis has been compared employing a variety of protocols. Ultimately, a convenient, economical and high yielding set of conditions employing green chemistry have been designed for their synthesis.

Asymmetric synthesis of 4,1-benzoxazepine-2,5-diones--effect of the halogen of (2S)-α-haloacids.

Novel chiral 4,1-benzoxazepine-2,5-diones have been unusually synthesized in a single step by exploiting the chiral pool methodology. Substituted anthranilic acids afford N-acylanthranilic acids and (3R)-3-alkyl-4,1-benzoxazepines-2,5-dione upon coupling with α-chloroacids or α-bromoacids, respectively.

Stereoselective synthesis of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones.

Novel 3-alkyl-4,1-benzoxazepine-2,5-diones were synthesized in good ee exploiting the chiral pool methodology, an economical way of asymmetric synthesis. Various anthranilic acids are coupled with different α-haloacids to afford N-acylated anthranilic acid intermediates which undergo cyclization to (3R)-3-alkyl-4,1-benzoxazepines-2,5-diones.

4-Chloro-2-hy-droxy-N-(4-methyl-phen-yl)benzamide.

In the title compound, C(14)H(12)ClNO(2), the dihedral angle between the aromatic rings is 14.87 (11)° and an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating C(6) chains propagating along the c-axis direction.

2-Hy-droxy-N-(4-methyl-phen-yl)benzamide.

In the crystal structure of the title compound, C(14)H(13)NO(2), the mol-ecules are approximately planar, the r.m.s.

N-(3-Chloro-phen-yl)-2-hy-droxy-benzamide.

In the title compound, C(13)H(10)ClNO(2), the dihedral angle between the aromatic rings is 5.57 (9)° and intra-molecular N-H⋯O and C-H⋯O hydrogen bonds both generate S(6) rings. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into C(6) chains propagating along [010].

N-(4-Chloro-phen-yl)-2-hy-droxy-benzamide.

In the title compound, C(13)H(10)ClNO(2), the dihedral angle between the aromatic rings is 20.02 (6)° and intra-molecular N-H⋯O and C-H⋯O hydrogen bonds both generate S(6) rings. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into C(6) chains propagating in [010].

5-Chloro-2-hy-droxy-benzoic acid.

The asymmetric unit of the title compound, C(7)H(5)ClO(3), contains two mol-ecules; both feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, both mol-ecules form inversion dimers linked by pairs of O-H⋯O hydrogen bonds with R(2) (2)(8) ring motifs. The dimers are inter-linked by C-H⋯O inter-actions.

2-Hy-droxy-N-(3-nitro-phen-yl)benzamide.

In the crystal structure of title compound, C(13)H(10)N(2)O(4), as expected, the nitro- and hy-droxy-substituted benzene rings are planar with r. m. s.

2-Hy-droxy-5-nitro-N-phenyl-benzamide.

The mol-ecule of the title compound, C(13)H(10)N(2)O(4), is almost planar with a dihedral angle between the benzene rings of 1.99 (13)°. The nitro group and its parent benzene ring are oriented at a dihedral angle of 7.

2-Hydr-oxy-3-nitro-N-phenyl-benzamide.

The asymmetric unit of the title compound, C(13)H(10)N(2)O(4), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at dihedral angles of 24.39 (3) and 7.

2-Hydr-oxy-3-nitro-benzamide.

The asymmetric unit of title compound, C(7)H(6)N(2)O(4), contains two mol-ecules, one of which has a disordered nitro group with an occupancy ratio of 0.517 (9):0.483 (9) for the O atoms.

2-Hydr-oxy-5-nitro-benzamide.

In the title compound, C(7)H(6)N(2)O(4), an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. Weak C-H⋯O links consolidate the packing, leading to R(2) (1)(7) and R(2) (2)(10) loops within (100) polymeric sheets.