You could be based in a university, combining chemical research with teaching; in a pharmaceutical company, working on developing and trialing new drugs; helping to ensure national healthcare provision keeps pace with new discoveries. 1878-68-8, Name is 4-Bromophenylacetic acid, SMILES is OC(=O)CC1=CC=C(Br)C=C1, belongs to phthalazine compound. In a document, author is Yoosefian, M., introduce the new discover, Product Details of 1878-68-8.
Properties of dimethyl 3-(alkylamino)-5,10-dioxo-5,10-dihydro-1H-pyrazolo[1,2-b]phthalazine-1,2-dicarboxylate and its derivatives were studied by means of ab initio method. NO2 derivative of title compound was synthesized and the nature of its intramolecular hydrogen bond (HB) was investigated. Furthermore, the topological properties of the electron density distributions for N-H…O intramolecular bridges were analyzed in terms of the Bader theory of atoms in molecules (AIM). The electron density (?) and Laplacian (?2?) properties, estimated by AIM calculations, indicated that O…H bond possesses low ? and positive ?2? values which are in agreement with electrostatic character of the HBs, whereas N-H bonds have covalent character (?2?<0). Moreover, steric effect of the t-Bu group on structure and topological parameters of pyrazolo[1,2-b]phthalazine conformers was studied. Finally, the powerful method of Espinosa was used to obtain the H-bond energy. Interested yet? Keep reading other articles of 1878-68-8, you can contact me at any time and look forward to more communication. Product Details of 1878-68-8.
Reference:
Phthalazine – Wikipedia,
,Phthalazine | C8H6N2 – PubChem