2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Base Information

• Chemical Name: 2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
• CAS No.: 72623-17-7
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.283
• DSSTox Substance ID: DTXSID50497466
• Nikkaji Number: J617.693C
• Wikidata: Q82347042

Synonyms:72623-17-7;SCHEMBL9702416;DTXSID50497466;2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Chemical Property of 2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Chemical Property:

• Boiling Point: 324.5±35.0 °C(Predicted)
• PSA: 30.82000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 1.99460
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1OC)C2=NC(CO2)(C)C

Technology Process of 2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

There total 7 articles about 2-(3-Methoxy-2-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4,5-dihydro-2-(2',3'-dimethoxyphenyl)-4,4-dimethyloxazole (57598-32-0) + methylmagnesium bromide (75-16-1) → 2-(2-Methyl-3-methoxyphenyl)-4,4-dimethyl-2-oxazoline (72623-17-7)

Guidance literature:

In tetrahydrofuran; for 168h; Ambient temperature;

DOI:10.1021/jo01294a035

Reference yield: 96.0%

→ 4,5-dihydro-1,3-oxazol (504-77-8) + 2-(2-Methyl-3-methoxyphenyl)-4,4-dimethyl-2-oxazoline (72623-17-7)

Guidance literature:

Reference yield: 89.0%

3-(4,4-dimethyloxazolin 2-yl)anisole (73453-77-7) + methyl iodide (74-88-4) → 2-(2-Methyl-3-methoxyphenyl)-4,4-dimethyl-2-oxazoline (72623-17-7)

Guidance literature:

With n-butyllithium;

DOI:10.1021/jm00122a020

upstream raw materials:

4,5-dihydro-2-(2',3'-dimethoxyphenyl)-4,4-dimethyloxazole

methylmagnesium bromide

3-(4,4-dimethyloxazolin 2-yl)anisole

methyl iodide

Downstream raw materials:

2-<2-(bromomethyl)-3-methoxyphenyl>-4,4-dimethyl-2-oxazoline

3-methoxy-2-methylbenzoic acid

2-(2-carbomethoxymethyl-3-methoxyphenyl)-4,4-dimethyl-2-oxazoline

2-(3'-methoxy-o-tolyl)-4,4-dimethyl-N-methyl-2-oxazolinium iodide

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