5-Phenyloxazole-2-carbaldehyde

Base Information

• Chemical Name: 5-Phenyloxazole-2-carbaldehyde
• CAS No.: 96829-89-9
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.171
• DSSTox Substance ID: DTXSID30537955
• Wikidata: Q82413139
• Mol file: 96829-89-9.mol

Synonyms:5-Phenyloxazole-2-carbaldehyde;96829-89-9;5-phenyl-1,3-oxazole-2-carbaldehyde;5-phenyloxazole-2-carboxaldehyde;2-Oxazolecarboxaldehyde, 5-phenyl-;SCHEMBL1313699;DTXSID30537955;GJRAYWVAZQGENN-UHFFFAOYSA-N;A923309

Chemical Property of 5-Phenyloxazole-2-carbaldehyde

Chemical Property:

• PSA: 43.10000
• LogP: 2.15410
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

5-PHENYLOXAZOLE-2-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C=O
• Uses: 5-Phenyloxazole-2-carboxaldehyde has been used in the preparation of (diazomethyl)oxazole.

Technology Process of 5-Phenyloxazole-2-carbaldehyde

There total 4 articles about 5-Phenyloxazole-2-carbaldehyde 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:

5-phenyloxazole (1006-68-4) + N-methyl-N-(2-pyridyl)-formamide (67242-59-5) → 5-phenyloxazole-2-carbaldehyde (96829-89-9)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, ether, -78 deg C, 30 min., 2.) -78 deg C, 30 min. then room temp., 18 h;

DOI:10.1055/s-1984-31075

Reference yield:

5-phenyloxazole (1006-68-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-phenyloxazole-2-carbaldehyde (96829-89-9)

Guidance literature:

5-phenyloxazole; With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃;

Reference yield:

2-dichloromethyl-5-phenyl-oxazole (98994-43-5) → 5-phenyloxazole-2-carbaldehyde (96829-89-9) + 2-Diethoxymethyl-5-phenyl-oxazole

Guidance literature:

With silver nitrate; In ethanol;

upstream raw materials:

5-phenyloxazole

N-methyl-N-(2-pyridyl)-formamide

2-dichloromethyl-5-phenyl-oxazole

ethanol