5-Phenyloxazole

Base Information

• Chemical Name: 5-Phenyloxazole
• CAS No.: 1006-68-4
• Molecular Formula: C9H7NO
• Molecular Weight: 145.161
• Hs Code.: 2934999090
• European Community (EC) Number: 687-911-2
• DSSTox Substance ID: DTXSID40343362
• Nikkaji Number: J101.388B
• Wikidata: Q72498014
• ChEMBL ID: CHEMBL3354465
• Mol file: 1006-68-4.mol

Synonyms:5-phenyl oxazole

Chemical Property of 5-Phenyloxazole

Chemical Property:

• Appearance/Colour: light yellow to orange crystalline low melting
• Vapor Pressure: 0.0186mmHg at 25°C
• Melting Point: 37-39 °C
• Refractive Index: 1.543
• Boiling Point: 261.6 °C at 760 mmHg
• PKA: 0.45±0.10(Predicted)
• Flash Point: 102.8 °C
• PSA: 26.03000
• Density: 1.11 g/cm³
• LogP: 2.34160
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.052763847
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

5-Phenyloxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C,F
• Hazard Codes: Xi,C,F,Xn
• Statements: 11-34-22
• Safety Statements: 24/25-45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=CO2
• Uses: 5-Phenyloxazole, is an building block used for the synthesis pf various pharmaceutical and biologically active compounds. It has also been shown to be able to modulate adenylate cyclase, leading to identification of Octopamine and tyramine receptor agonists.

Technology Process of 5-Phenyloxazole

There total 39 articles about 5-Phenyloxazole 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: 100.0%

4-[(4-Methylphenyl)sulfonyl]-5-phenyl-1,3-oxazole (37118-19-7) → 5-phenyloxazole (1006-68-4)

Guidance literature:

With disodium hydrogenphosphate; sodium amalgam; In tetrahydrofuran; ethanol; for 4h; Sonication;

DOI:10.1039/a908987j

Reference yield: 96.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + benzaldehyde (100-52-7) → 5-phenyloxazole (1006-68-4)

Guidance literature:

With triethylamine; fipronilβ-cyclodextrin; In water; at 50 ℃; for 2h; Reagent/catalyst; Temperature; Solvent; Catalytic behavior; Green chemistry;

DOI:10.1515/znb-2017-0005

Reference yield: 95.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + benzyl alcohol (100-51-6,185532-71-2) → 5-phenyloxazole (1006-68-4)

Guidance literature:

With 1,3-dimethylbarbituric acid; potassium hydroxide; In acetonitrile; at 80 ℃;

DOI:10.1016/j.tet.2018.02.046

upstream raw materials:

N-(2-oxo-2-phenylethyl)formamide

3t-azido-1-phenyl-propenone

methyl isocyanate

benzoyl chloride

Downstream raw materials:

3-benzyl-5-phenyl-oxazolium; chloride

3-methyl-5-phenyl-oxazolium; iodide

5,5'-diphenyl-2,2'-bi-1,3-oxazole

phenyl(5-phenyloxazol-2-yl)methanone