2-(4-Isopropylbenzylidene)propanoic acid
نویسندگان
چکیده
The two mol-ecules in the asymmetric unit of the title compound, C(13)H(16)O(2), form dimers through O-H⋯O hydrogen bonding, resulting in R(2) (2)(8) rings. Each carboxyl- O atom is involved in inter-amolecular C-H⋯O hydrogen bonds, forming five-membered rings. There exist dissimilar dihedral angles within the two mol-ecules, for example the carboxylate and isopropyl groups make dihedral angles of 59.6 (4) and 71.7 (3)° in the two molecules. There are no intermolecular π inter-actions.
منابع مشابه
Solution-phase synthesis of a combinatorial library of 3-[4-(coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid amides.
The parallel solution-phase synthesis of a new combinatorial library of 3-[4-(R1-coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid amides 9 has been developed. The synthesis involves two steps: 1) the synthesis of core building blocks - 3- [4-(coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acids, 6 - by the reaction of 3-(omega-bromacetyl)coumarins 1 with 3-amino(thioxo)methylcarbamoy...
متن کاملSonogashira diversification of unprotected halotryptophans, halotryptophan containing tripeptides; and generation of a new to nature bromo-natural product and its diversification in water† †Electronic supplementary information (ESI) available: Experimental procedures; NMR characterisation; LC-MS characterisation. See DOI: 10.1039/c6sc04423a Click here for additional data file.
Experimental For the synthesis of: Sodium 2'-(Dicyclohexylphosphanyl)-2,6-diisopropyl-(1,1-biphenyl)-4-sulfonate (sXPhos) 12 4 Standard Reaction Procedure of 5-bromoindole 15 under reflux: 5 Microwave Reaction Procedure of 5-bromoindole 15: 5 Standard Microwave Reaction Procedure for Tryptophans: 5 (S)-2-Amino-3-(5-(phenylethynyl)-1H-indol-3-yl)propanoic acid 19 6 (S)-2-Amino-3-5-((3-fluorophen...
متن کاملInvestigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters
In this research at the first 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η)...
متن کاملOdor and Odorous Chemical Emissions from Animal Buildings: Part 3- Chemical Emissions
This study was an add-on study to the National Air Emission Monitoring Study (NAEMS). The objective of this study was to measure odor emissions and corresponding concentrations and emissions of target odorous gases. Odor and odorous gas measurements at four NAEMS sites (dairy barns in Wisconsin-WI5B and Indiana-IN5B, swine finisher barn in Indiana-IN3B and swine gestation/farrowing barns in Iow...
متن کاملAroma Volatile Compounds from Two Fresh Pineapple Varieties in China
Volatile compounds from two pineapples varieties (Tainong No.4 and No.6) were isolated by headspace solid phase microextraction (HS-SPME) and identified and quantified by gas chromatography-mass spectrometry (GC/MS). In the Tainong No. 4 and No. 6 pineapples, a total of 11 and 28 volatile compounds were identified according to their retention time on capillary columns and their mass spectra, an...
متن کامل