5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole

Base Information

• Chemical Name: 5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole
• CAS No.: 852-36-8
• Molecular Formula: C21H15NO
• Molecular Weight: 297.356
• Hs Code.: 2934999090
• European Community (EC) Number: 212-709-4
• DSSTox Substance ID: DTXSID90234392
• Nikkaji Number: J195.124F
• Wikidata: Q83116162
• Mol file: 852-36-8.mol

Synonyms:852-36-8;5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole;5-[1,1'-biphenyl]-4-yl-2-phenyloxazole;2-Phenyl-5-(4-biphenylyl)oxazole;EINECS 212-709-4;5-([1,1'-Biphenyl]-4-yl)-2-phenyloxazole;5-(biphenyl-4-yl)-2-phenyl-1,3-oxazole;CBDivE_011317;SCHEMBL1267325;DTXSID90234392;CCG-17639;STK023072;AKOS001622949;2-PHENYL-5-(4-BIPHENYLYL)-OXAZOLE;Oxazole, 5-(1,1'-biphenyl)-4-yl-2-phenyl-;5-(1,1'-biphenyl-4-yl)-2-phenyl-1,3-oxazole

Chemical Property of 5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole

Chemical Property:

• Melting Point: 152-154 °C
• Boiling Point: 507.4°Cat760mmHg
• PKA: 0.39±0.10(Predicted)
• Flash Point: 219.3°C
• PSA: 26.03000
• Density: 1.137g/cm³
• LogP: 5.67560
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 297.115364102
• Heavy Atom Count: 23
• Complexity: 351

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=CC=C4

Technology Process of 5-(1,1'-Biphenyl)-4-yl-2-phenyloxazole

There total 10 articles about 5-(1,1'-Biphenyl)-4-yl-2-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: 89.0%

biphenyl-4-acetaldehyde (92-91-1) + phenylglycin (2835-06-5) → 5-([1,1'-Biphenyl]-4-yl)-2-phenyloxazole (852-36-8)

Guidance literature:

With iodine; 4-aminobenzene sulfonic acid; In dimethyl sulfoxide; at 100 ℃; for 5h;

DOI:10.1055/s-0035-1560660

Reference yield: 81.0%

2-phenylazlactone (1199-01-5,53766-22-6) + biphenyl (92-52-4,1594-86-1) → 5-([1,1'-Biphenyl]-4-yl)-2-phenyloxazole (852-36-8)

Guidance literature:

2-phenylazlactone; biphenyl; With aluminium trichloride; In 1,2-dichloro-ethane; at 0 - 20 ℃;

With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at -78 - 20 ℃;

DOI:10.1021/jo0501590

Reference yield: 75.0%

2-Bromo-4'-phenylacetophenone (135-73-9) + benzylamine (100-46-9) → 5-([1,1'-Biphenyl]-4-yl)-2-phenyloxazole (852-36-8)

Guidance literature:

With potassium phosphate; tris(2,2'-bipyridyl)ruthenium dichloride; Bromotrichloromethane; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.6b00989

upstream raw materials:

N-(2-([1,1’-biphenyl]-4-yl)-2-oxoethyl)benzamide

2-phenylazlactone

biphenyl

benzoyl chloride