stable crystalline phosphorus ylides are obtained in excellent yields from the 1:1:1 addition reactionbetween hydantoins or thiohydantoins and dialkyl acetylenedicarboxylates in the presence oftriphenylphosphine. these phosphoranes undergo smooth intramolecular wittig reaction followedby an electrocyclic ring opening to produce dialkyl (e)-2-(2,5-dihydro-5,5-diaryl-2-thioxo-1h-imidazol-4-yl)fum...

: 1h nmr spectra of a series of enaminones r-co-ch=c(nhch2ph)-r  [1, r=ch3; 2, r=c6h5; 3, r=cf3; 4, r=ch2ch2ch2; 5, r=ch2c(ch3)2ch2], were obtained in the presence of trifluoroacetic acid in cdcl3 or dmso-d6 at 28 °c. steric, solvent, electronic and hydrogen bonding effects on the rates of acid-catalyzed nh proton exchanges were investigated. rate constants were calculated by 1h nmr line shape ...

tetrahydrobenzo[b]pyran derivatives 1 were utilized for the synthesis of several new pyrano[2,3-d]pyrimidine derivatives 2. compound 2 was obtained in the presence of ac2o/h2so4 (as a catalyst) and was confirmed by spectroscopic data such as ir, 1h nmr and 13c nmr. ab initio calculation was carried out to study geometric optimization, thermodynamic parameters, aromaticity and dynamic process of...

Compounds I, II and III, were used as models resembling gear systems (bods connecting CR3 groups to the skeletal molecule are parallel) in surveying the potential energy surface for their internal rotation. The magnitude of the barriers calculated for averaging the NMR signals, placed these compounds in the range of measurement accessible by dynamic NMR spectroscopy (which is cur...

the 1h and natural-abundance 13c-nmr spectra of 1-thiacyclooctan-3-one (1) have been measured from 25 to -100°c. coalescence is observed in the 1h-nmr spectra of (1) at about -80°c, and attributed to ring inversion in a boat-chair conformation, which is the predominant conformation of (1). the free energy of activation (dg¹) for this process is 9.2±0.2 kcal/mol. the 13c-nmr spectra of (1) is te...

Solid-state (2)H NMR spectroscopy has been used to probe the dynamic disorder of hydroxyl deuterons in a synthetic sample of deuterated hydroxyl-clinohumite (4Mg(2)SiO(4).Mg(OD)(2)), a proposed model for the incorporation of water within the Earth's mantle. Both static and magic angle spinning (MAS) NMR methods were used. Static (2)H NMR appears to reveal little evidence of the dynamic process,...