5-(3,4-Dimethoxyphenyl)oxazole

Base Information

• Chemical Name: 5-(3,4-Dimethoxyphenyl)oxazole
• CAS No.: 73663-61-3
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.213
• DSSTox Substance ID: DTXSID20533380
• Nikkaji Number: J2.785.189D
• Wikidata: Q82406663
• Mol file: 73663-61-3.mol

Synonyms:5-(3,4-Dimethoxyphenyl)oxazole;73663-61-3;5-(3,4-Dimethoxyphenyl)-1,3-oxazole;Oxazole, 5-(3,4-dimethoxyphenyl)-;SCHEMBL12682370;DTXSID20533380;MFCD32631885;CS-0195941;E95316

Chemical Property of 5-(3,4-Dimethoxyphenyl)oxazole

Chemical Property:

• Melting Point: 100-102 °C(Solv: heptane (142-82-5))
• Boiling Point: 318.0±32.0 °C(Predicted)
• PSA: 44.49000
• Density: 1.148±0.06 g/cm3(Predicted)
• LogP: 2.35880
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

5-(3,4-dimethoxyphenyl)oxazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CN=CO2)OC

Technology Process of 5-(3,4-Dimethoxyphenyl)oxazole

There total 2 articles about 5-(3,4-Dimethoxyphenyl)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: 91.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 5-(3,4-Dimethoxyphenyl)oxazole (73663-61-3)

Guidance literature:

With triethylamine; fipronilβ-cyclodextrin; In water; at 50 ℃; for 2h; Green chemistry;

DOI:10.1515/znb-2017-0005

Reference yield:

oxazol (288-42-6) + 4-Bromoveratrole (2859-78-1) → 5-(3,4-Dimethoxyphenyl)oxazole (73663-61-3)

Guidance literature:

With tetrabutylammonium acetate; palladium diacetate; In N,N-dimethyl acetamide; at 70 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201300704

Reference yield: 94.0%

iodobenzene (591-50-4) + 5-(3,4-Dimethoxyphenyl)oxazole (73663-61-3) → 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole (70216-32-9)

Guidance literature:

With copper(l) iodide; sodium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 160 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.02.039

upstream raw materials:

[(p-methylphenyl)sulfonylmethyl]isonitrile

3,4-dimethoxy-benzaldehyde

oxazol

4-Bromoveratrole

Downstream raw materials:

7-(3,4-Dimethoxybenzoyl)-2-phenyl-1H,7H-s-triazolo<1,2-a>-s-triazol-1,3(2H)-dion

(3,4-Dimethoxy-phenyl)-[5-(3,4-dimethoxy-phenyl)-oxazol-2-yl]-methanol

N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide

2-(3,4-Dimethoxy-phenyl)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-2-hydroxy-acetamide