3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-YL)-4-methylpyridine

Base Information

• Chemical Name: 3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-YL)-4-methylpyridine
• CAS No.: 68981-84-0
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.245
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10383836
• Wikidata: Q82175634
• Mol file: 68981-84-0.mol

Synonyms:68981-84-0;3-(4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL)-4-METHYLPYRIDINE;4,4-Dimethyl-2-(4-methylpyridin-3-yl)-4,5-dihydrooxazole;3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-4-methyl-pyridine;4,4-dimethyl-2-(4-methylpyridin-3-yl)-5H-1,3-oxazole;DTXSID10383836;CHEBI:194735;Pyridine,3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-4-methyl-;AKOS006229416;MS-22073;CS-0360213;FT-0613632;A915569

Chemical Property of 3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-YL)-4-methylpyridine

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Boiling Point: 309.4ºC at 760 mmHg
• Flash Point: 140.9ºC
• PSA: 34.48000
• Density: 1.11g/cm3
• LogP: 1.38100
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC=C1)C2=NC(CO2)(C)C

Technology Process of 3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-YL)-4-methylpyridine

There total 8 articles about 3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-YL)-4-methylpyridine 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: 90.0%

C11H15N2O(1-)*Li(1+) (111736-38-0) → 3-(4',4'-dimethyl-4',5'-dihydro-oxazol-2'-yl)-4-methylpyridine (68981-84-0)

Guidance literature:

With oxygen; In diethyl ether; for 0.25h;

Reference yield: 73.0%

3-(4,4-dimethyloxazolin-2-yl)-4-methyl-1,4-dihydropyridine (68981-79-3) → 3-(4',4'-dimethyl-4',5'-dihydro-oxazol-2'-yl)-4-methylpyridine (68981-84-0)

Guidance literature:

With air; chloranil; In tetrahydrofuran; diethyl ether; for 0.5h;

DOI:10.1021/jo00134a024

Reference yield:

3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine (68981-86-2) → 3-(4',4'-dimethyl-4',5'-dihydro-oxazol-2'-yl)-4-methylpyridine (68981-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / tetrahydrofuran / 1 h / -78 °C

2: 90 percent / O₂ / diethyl ether / 0.25 h

With oxygen; In tetrahydrofuran; diethyl ether;

upstream raw materials:

3-(4,4-dimethyloxazolin-2-yl)-4-methyl-1,4-dihydropyridine

C₁₁H₁₅N₂O^(1-)*Li⁽¹⁺⁾

methyllithium

3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine

Downstream raw materials:

1-Benzyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-4-methyl-pyridinium; chloride

1-Benzyl-3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-4-methyl-1,4-dihydro-pyridine

4-methylnicotinoyl chloride

4-methylpyridine-3-carboxylic acid hydrochloride

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