4,5-Dimethyloxazole

Base Information

• Chemical Name: 4,5-Dimethyloxazole
• CAS No.: 20662-83-3
• Molecular Formula: C5H7NO
• Molecular Weight: 97.1167
• Hs Code.: 2934999090
• European Community (EC) Number: 853-563-7
• DSSTox Substance ID: DTXSID30174703
• Nikkaji Number: J100.665G
• Metabolomics Workbench ID: 45819
• Mol file: 20662-83-3.mol

Synonyms:4,5-DIMETHYLOXAZOLE;20662-83-3;4,5-Dimethyl-1,3-oxazole;4,5-dimethyl-oxazole;Oxazole, 4,5-dimethyl-;5-Methyl-4-methyloxazole;4,5-Dimethyl-1,3-oxazole #;DTXSID30174703;CHEBI:192309;MFCD11110236;AKOS006307937;AB63543;AS-57637;CS-0196982;FT-0740802;EN300-100643;A814791

Chemical Property of 4,5-Dimethyloxazole

Chemical Property:

• Vapor Pressure: 20.5mmHg at 25°C
• Melting Point: 239-240℃
• Refractive Index: 1.4432 (589.3 nm 20℃)
• Boiling Point: 117.8 °C at 760 mmHg
• PKA: 1.99±0.14(Predicted)
• Flash Point: 34.6 °C
• PSA: 26.03000
• Density: 0.99 g/cm³
• LogP: 1.29140
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.052763847
• Heavy Atom Count: 7
• Complexity: 65.1

Purity/Quality:

99% ^*data from raw suppliers

4,5-Dimethyloxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC=N1)C

Technology Process of 4,5-Dimethyloxazole

There total 1 articles about 4,5-Dimethyloxazole 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:

formamide (77287-34-4,77287-35-5,60100-09-6) + 3-bromo-butanone (814-75-5) → 4,5-dimethylimidazole (2302-39-8) + 4,5-dimethyl-oxazole (20662-83-3)

Guidance literature:

Reference yield: 58.1%

(E)-8-(4-bromostyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione (155271-71-9) + 4,5-dimethyl-oxazole (20662-83-3) → (E)-8-(4-(4,5-dimethyloxazol-2-yl)styryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium tert-butylate; XPhos; In 1,4-dioxane; at 110 ℃; for 12h; Inert atmosphere;

Reference yield: 44.0%

4,5-dimethyl-oxazole (20662-83-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 2,3-dimethylisonicotinate (1254328-26-1)

Guidance literature:

With hydroquinone; In benzene; for 18h; Reflux;

DOI:10.1021/jm1008727

upstream raw materials:

formamide

3-bromo-butanone

Downstream raw materials:

(+/-)-2-benzamido-3-butanone

4,5-dimethylimidazole

4,5-Dimethylthiazole

2,3-dimethylisonicotinic acid ethyl ester