10431-95-5

Basic information

• Product Name: 2-benzyl-4,5-dihydro-1,3-oxazole
• CAS NO: 10431-95-5
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.2004
• Mol File: 10431-95-5.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 258.9°C at 760 mmHg
• Flash Point: 84.6°C
• Density: 1.09g/cm³
• Vapor Pressure: 0.0216mmHg at 25°C
• Refractive Index: 1.563
• CAS DataBase Reference: 2-benzyl-4,5-dihydro-1,3-oxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzyl-4,5-dihydro-1,3-oxazole(10431-95-5)
• EPA Substance Registry System: 2-benzyl-4,5-dihydro-1,3-oxazole(10431-95-5)

Safety Data

• Hazardous Substances Data: 10431-95-5(Hazardous Substances Data)

Upstream product

• 1943-83-5 2-chloroethyl isothiocyanate 
• 103-82-2 phenylacetic acid 
• 141-43-5 ethanolamine 
• 645-54-5 2-phenylthioacetamide 
• 140-29-4 phenylacetonitrile 
• 103-80-0 phenylacetyl chloride 
• 1517-05-1 2-azidoethanol 
• 122-78-1 phenylacetaldehyde 
• 23547-02-6 N-(2-chloroethyl)phenylacetamide 
• 194935-56-3 N-(2-bromoethyl)phenylacetamide 

Downstream Products

• 31879-42-2 2-benzoyl-4,5-dihydrooxazole 
• 6269-99-4 N-(2-hydroxyethyl)-2-phenylacetamide 

Relevant articles and documents

Hexaalkylguanidinium salts as ionic liquids - Applications in titanium and aluminium alcoholate assisted synthesis

The solubility of titanium and aluminium alcoholates and of titanium tetrakis(trimethylsilanolate) in several hexaalkylguanidinium-based room temperature ionic liquids was screened. The solvent/solute combinations which displayed the highest alcoholate solubility and stability were applied as Lewis-acidic catalytic media for several dehydrating cyclocondensations: lactamisation of ω-aminocarboxylic acids, direct amidation of carboxylic acids, synthesis of oxazolines from carboxylic acids and 2-aminoethanol, lactonisation of 6-hydroxyhexanoic acid, and Paal-Knorr synthesis of pyrroles.

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Ultrasound-Accelerated, Concise, and Highly Efficient Synthesis of 2-Oxazoline Derivatives Using Heterogenous Calcium Ferrite Nanoparticles and Their DFT Studies

A rapid and operationally simple approach for synthesising biologically relevant 2-oxazoline derivatives has been developed through highly efficient ultrasound-promoted coupling reactions of thioamides and amino alcohols using calcium ferrite nanoparticles as heterogeneous catalysts. The major advantage of using ultrasound irradiation lies in the drastic reduction of reaction time as compared with conventional stirring. Furthermore, quantum chemical investigations for the synthesised 2-oxazoline derivatives have been carried out at the DFT/B3LYP/6-311 + G (d, p) level of theory to predict the optimized geometry. The molecular properties such as bond lengths, bond orders, Milliken charges, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential map, and thermodynamic parameters of all the compounds have also been reported at the same level of theory.

Microwave-Assisted Synthesis of 2-Aryl-2-oxazolines, 5,6-Dihydro-4H-1,3-oxazines, and 4,5,6,7-Tetrahydro-1,3-oxazepines

The first general procedure for the synthesis of 5- to 7-membered cyclic iminoethers by microwave-assisted cyclization of ω-amido alcohols promoted by polyphosphoric acid (PPA) esters is presented. 2-Aryl-2-oxazolines and 5,6-dihydro-4H-1,3-oxazines were efficiently prepared using ethyl polyphosphate/CHCl3. Trimethylsilyl polyphosphate in solvent-free conditions allowed for the synthesis of hitherto-unreported 4,5,6,7-tetrahydro-1,3-oxazepines. The method involves good to excellent yields and short reaction times.The reaction mechanism and the role of PPA esters were investigated in a chiral substrate.