This chapter aims to cover theoretical and computational studies on or-
ganometallic molecules. Section 2 covers the s-block elements, Section 3 covers
the p-block metals and Section 4 covers the d- and f-block metals. Clusters,
carbonyls and metal-metal bonded systems containing M-C bonds are included.
Cyanide complexes, metal fullerene derivatives, extended systems and organic
species on metal surfaces are excluded except where calculations have been
performed on model complexes designed to mimic solid state and surface chem-
The purpose of this work was to study the catalytic properties of rat buty-rylcholinesterase with benzoylcholine (BzCh) and N-alkyl derivatives of
BzCh (BCHn) as substrates. Complex hysteretic behaviour was observed in
the approach to steady-state kinetics for each ester. Hysteresis consisted of
a long lag phase with damped oscillation.
A back -propagation artificial neural net has been trained to estimate the activity values of a set of 18 N-alkyl-N-acyl- -aminoamide derivatives from the results of molecular mechanics and RHF/PM3/SCF MO semi-empirical calculations. The input descriptors include molecular properties such as the partition coefficient P, 3d structure dependent parameters, charge dependent parameters, and topological descriptors.
The benzoacronycine derivative, S23906-1, was character-ized recently as a novel potent antitumor agent through
alkylation of theN2 positionof guanines inDNA.We show
here that its reactivity towards DNA can be modulated
by glutathione (GSH). The formation of covalent adducts
between GSH and S23906-1 was evidenced by EI-MS, and
the use of different GSH derivatives, amino acids and
dipeptides revealed that the cysteine thiol group is absolutely
required for complex formation because glutathione disul-fide (GSSG) and other S-blocked derivatives failed to react
covalently with S23906-1. ...
Phase-transfer-catalyzed alkylation of glycinate
Schiff base with racemic secondary alkyl
halides proceeded with excellent levels of synand
enantioselectivities under the influence of a
chiral quaternary ammonium bromide and 18-
crown-6. The alkylation product can be
selectively converted to the corresponding anti
isomer, allowing the preparation of all the
stereoisomers of β-alkyl-α-amino acid
Amines are organic derivatives of ammonia with one or more alkyl or aryl groups bonded to the nitrogen atom. As a class, amines include some of the most important biological compounds. Amines serve many functions in living organisms, such as bioregulation, neurotransmission, and defense against predators. This chapter draw and name amines, and use spectral information to determine their structures; compare the basicity of amines with other common bases, and explain how their basicity varies with hybridization, aromaticity, resonance, and induction.
Two stereoisomers of benzo[a]furo[2,3-g]quinolizine derivatives were obtained by alkylation of stereoisomeric 7a-methyl-2-oxo-5-phenylfuro[2,3-c]piperidines with methallyl chloride and subsequent cyclization of alkylated products in the mixture of trifluoroacetic and concentrated sulphuric acids. It is interesting to find that the cis-quinolizine, upon heating to 150o C in glacial acetic acid, is isomerized to the trans-isomer.
From the 3-acetylaminoindan-1-one obtained during the course of our work, we studied the synthesis of novel indanone derivatives as new antitumor agents, by acidic hydrolysis of the acetamide group, diazotisation and alkylation of the amino group and bromination of the cyclopentanic methylene group.
Chapter 9 introduce to Alkynes. In this chapter, students will be able to: Draw and name alkynes, cycloalkynes, and their derivatives; show how to synthesize alkynes by eliminations from alkyl halides and by the additions and substitutions of acetylide ions; predict the products of the reactions of alkynes, including the orientation of the reaction (regiochemistry) and the stereochemistry;...