80762-49-8

Basic information

• Product Name: 2-(3-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE
• Synonyms: 2-(3-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE
• CAS NO: 80762-49-8
• Molecular Formula: C₁₁H₁₂ClNO
• Molecular Weight: 209.67
• Mol File: 80762-49-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 78-80 °C
• Boiling Point: 58 °C(Press: 0.02 Torr)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• PKA: 4.28±0.70(Predicted)
• CAS DataBase Reference: 2-(3-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE(80762-49-8)
• EPA Substance Registry System: 2-(3-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE(80762-49-8)

Safety Data

• Hazardous Substances Data: 80762-49-8(Hazardous Substances Data)

Upstream product

• 535-80-8 3-chlorobenzoate 
• 124-68-5 2-Amino-2-methyl-1-propanol 
• 30093-99-3 4,4-dimethyl-2-oxazoline 
• 625-99-0 3-iodochlorobenzene 
• 27644-80-0 2-(3-chloro-phenyl)-4,4-dimethyl-oxazolidine 
• 618-46-2 m-Chlorobenzoyl chloride 
• 701923-86-6 3-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide 

Downstream Products

• 82946-66-5 4,4-Dimethyl-2-(11-oxa-tricyclo[6.2.1.0^2,7]undeca-2⁽⁷⁾,3,5,9-tetraen-3-yl)-4,5-dihydro-oxazole 
• 82946-74-5 4,4-dimethyl-2-(3-(thiophen-2-yl)phenyl)-4,5-dihydrooxazole 
• 82946-69-8 5-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-9-methyl-1,4-dihydro-1,4-epiazano-naphthalene 
• 93340-18-2 3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-pentyl-benzonitrile 
• 115890-73-8 [2-Butyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanol 
• 93340-38-6 3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-isobutyl-benzonitrile 
• 93340-36-4 3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-heptyl-benzonitrile 
• 93340-39-7 2-Benzyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-benzonitrile 
• 115890-78-3 2-Butyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-N-phenyl-benzamide 
• 98531-76-1 2-(2-Allyl-3-butyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole 
• 115890-74-9 2-Butyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-benzaldehyde 
• 93340-34-2 3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-methyl-benzonitrile 
• 74192-65-7 4,4-dimethyl-2-<2'-methoxy(1,1'-biphenyl)-2-yl>oxazoline 
• 89393-48-6 2-(2'-Methoxy-biphenyl-3-yl)-4,4-dimethyl-4,5-dihydro-oxazole 

Relevant articles and documents

The Winding Road towards an Atropo-enantioselective ‘ARYNE Coupling’

For the first time, the challenging atropo-enantioselective coupling of in-situ generated arynes and aryllithiums in the presence of a chiral ligand of lithium was investigated. This preliminary study demonstrates the feasibility of this concept, by affording enantioenriched axially chiral biaryls even in the case of products showing a high degree of steric congestion around the newly created aryl?aryl bond.

Directed functionalization of halophenyl-2-oxazolines with TMPMgCl?LiCl

A variety of difunctionalized aryl-2-oxazolines were prepared from the reaction of halophenyl-2-oxazolines and TMPMgCl?LiCl to give an organomagnesium reagent, which was then treated with various electrophiles. The metalation step takes place under mild conditions, and this process al-lows for the isolation of the desired products in good yields. No isomeric or other benzyne-derived products were detected. The influence of the halogen substituents on the acidity of the aromatic hydrogen atoms was evaluated by using density functional theory (DFT) calculations.