206557-10-0Relevant articles and documents
Water soluble Ru (II)–p-cymene complexes of chiral aroylthiourea ligands derived from unprotected D/L-alanine as proficient catalysts for asymmetric transfer hydrogenation of ketones
Sheeba, Mani Mary,Tamizh, Manoharan Muthu,Bhuvanesh, Nattamai S.P.,Karvembu, Ramasamy
, (2019)
The newfangled chiral aroylthiourea ligands (L1-L6) were produced from unprotected D/L-alanine and their water soluble Ru (II) organometallic catalysts (1–6) were designed from their reaction with [RuCl2(η6-p-cymene)]2. The analytical and spectral methods were used to confirm the structure of the ligands and complexes. The solid state structure of L1, 5 and 6 was confirmed by single crystal XRD. The organometallic compounds (1–6) catalyzed the asymmetric transfer hydrogenation of aromatic, heteroaromatic and bulky ketones to yield respective enantiopure secondary alcohols with admirable conversions (up to 99%) and attractive enantiomeric excesses (ee up to 98%), in presence of formic acid and triethylamine in water medium under non-inert atmospheric conditions.
Characterization of some amino acid derivatives of benzoyl isothiocyanate: Crystal structures and theoretical prediction of their reactivity
Odame, Felix,Hosten, Eric C.,Betz, Richard,Lobb, Kevin,Tshentu, Zenixole R.
, p. 38 - 48 (2015)
The reaction of benzoyl isothiocyanate with l-serine, l-proline, d-methionine and l-alanine gave 2-[(benzoylcarbamothioyl)amino]-3-hydroxypropanoic acid (I), 1-(benzoylcarbamothioyl)pyrrolidine-2-carboxylic acid (II), 2-[(benzoylcarbamothioyl)amino]-4-(methylsulfanyl)butanoic acid (III) and 2-[(benzoylcarbamothioyl)amino]propanoic acid (IV), respectively. The compounds have been characterized by IR, NMR, microanalyses and mass spectrometry. The crystal structures of all the compounds have also been discussed. Compound II showed rotamers in solution. DFT calculations of the frontier orbitals of the compounds have been carried out to ascertain the groups that contribute to the HOMO and LUMO, and to study their contribution to the reactivity of these compounds. The calculations indicated that the carboxylic acid group in these compounds is unreactive hence making the conversion to benzimidazoles via cyclization on the carboxylic acids impractical. This has been further confirmed by the reaction of compounds I-IV, respectively, with o-phenylene diamine which was unsuccessful but gave compound V.
Characterization and Computational Studies of a co-Crystal of 2-Aminobenzimidazole and 2-[(Benzoylcarbamothioyl)Amino]Propanoic Acid
Odame,Hosten,Betz,Lobb,Tshentu
, p. 1200 - 1204 (2018/12/10)
A novel co-crystal of 2-aminobenzimidazole and 2-[(benzoylcarbamothioyl)amino] propanoic acid is synthesized and characterized by spectroscopy, elemental analysis, GC-MS, and single crystal XRD. A computation of the structures involved in the formation of
