56248-36-3

Upstream product

• 25725-11-5 [D₉]-tert-butyl alcohol 
• 71-43-2 benzene 
• 918-20-7 tert-butyl chloride-d9 

Downstream Products

• 1287739-17-6 1-tert-butyl-4-nitrobenzene 
• 1287739-22-3 4-tert-butyl-d9-aniline 
• 1321623-54-4 C₁₂H₇⁽²⁾H₉N₂O₃ 
• 1287739-26-7 4-tert-butyl-d9-2-nitroaniline 
• 1287739-30-3 N-(3-bromophenyl-4-tert-butyl-d9)-2-nitroaniline 
• 1287739-34-7 C₁₆H₁₀⁽²⁾H₉BrN₂ 
• 1287739-37-0 1-(3-bromophenyl)-5-tert-butyl-d9-1H-benzo[d]imidazole 
• 1287738-79-7 3'-(5-tert-butyl-d9-1H-benzo[d]imidazol-1-yl)biphenyl-2-carbonitrile 
• 1287739-55-2 C₂₃H₁₀⁽²⁾H₉F₂N₃O₂ 
• 1287738-83-3 5'-(5-tert-butyl-d9-1H-benzo[d]imidazol-1-yl)-2',6-difluorobiphenyl-2-carbonitrile 
• 1040221-39-3 4-d9-tert-butyl-benzene-1-sulfonyl chloride 

Relevant academic research and scientific papers

SUBSITITUTED BENZIMIDAZOLES

This invention relates to novel substituted benzimidazoles and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a compound that modulates theGABAA receptor. This invention also provides novel intermediates for the preparation of the compounds of the invention, and salts thereof.

ENDOTHELIN RECEPTOR ANTAGONISTS

This invention relates to novel endothelin receptor antagonists, derivatives, acceptable acid addition salts, solvates, hydrates and polymorphs thereof. The invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by compounds that block the endothelin signaling pathway that leads to vasoconstriction and in particular those diseases or conditions beneficially treated by endothelin receptor antagonists.

Mode attack of atomic carbon on benzene rings

Reaction of are generated carbon atoms with tert-butylbenzene, 4, gives 3-methyl-3-phenyl-1-butene, 5, and 1,1-dimethylindane, 6. Labeling studies and isotope effects demonstrate that 5 results from an insertion into a methyl C-H bond followed by 1,2 hydrogen shift while 6 arises from initial ortho C-H insertion followed by intramolecular insertion into a methyl C-H bend. When fluoroboric acid is added to the 77 K matrix of 4 + C, tert-butyltropylium fluoroborate, 18, is formed. Labeling studies indicate that 18 results from initial insertion of C into meta and para C-H bonds of 4 followed by ring expansion to cycloheptatetraenes which are subsequently protonated. The reaction of C with benzene gives similar results, indicating that initial C-H insertion is the preferred mode of attack of atomic carbon on benzene rings.

Intrinsic Deuterium Isotope Effects of Deuteriated tert-Butyl Groups on the 13C NMR Spectra of Aromatic Compounds

The 3Δ-deuterium isotope effects of partially and fully deuteriated tert-butyl groups on the 13C NMR spectra of tert-butylbenzene and derivatives are discussed in detail.It is shown that they correlate with the chemical shift of C-1 of the aromatic ring.It has been demonstrated that when deuterium is replaced with some other substituents, the SCS values of these substituents show a parallel behaviour to the deuterium isotope effects.It is concluded that, for the compounds studied, deuterium isotope effects and substituent chemical shifts can be described on a common basis.