4-Benzyl-2-phenyl-2-oxazoline-5-one

Base Information

• Chemical Name: 4-Benzyl-2-phenyl-2-oxazoline-5-one
• CAS No.: 5874-61-3
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.285
• Hs Code.: 2934999090
• European Community (EC) Number: 663-170-0
• DSSTox Substance ID: DTXSID80373466
• Nikkaji Number: J647.346F
• Mol file: 5874-61-3.mol

Synonyms:5874-61-3;4-Benzyl-2-phenyl-2-oxazoline-5-one;4-benzyl-2-phenyloxazol-5(4H)-one;4-benzyl-2-phenyl-4H-1,3-oxazol-5-one;4-benzyl-2-phenyl-2-oxazolin-5-one;SCHEMBL5711327;DTXSID80373466;RWJSXVNLBHUVDP-UHFFFAOYSA-N;2-phenyl-4-benzyl-5(4h)-oxazolone;MFCD00157349;AKOS024341041;2-Phenyl-4-benzyl-2-oxazoline-5-one;2-phenyl-4-(phenylmethyl)-5(4H)-oxazolone;CS-0156330;FT-0635889;2-phenyl-4-(phenylmethyl)-5-(4H)-oxazolone;5(4H)-Oxazolone, 2-phenyl-4-(phenylmethyl)-;(4RS)-2-phenyl-4-phenylmethyl-5(4H)-oxazolone;4-benzyl-2-phenyl-2,5-dihydro-1,3-oxazol-5-one

Chemical Property of 4-Benzyl-2-phenyl-2-oxazoline-5-one

Chemical Property:

• Vapor Pressure: 7.79E-06mmHg at 25°C
• Melting Point: 68-69 °C
• Refractive Index: 1.61
• Boiling Point: 375.4 °C at 760 mmHg
• PKA: 2.56±0.40(Predicted)
• Flash Point: 165.4 °C
• PSA: 38.66000
• Density: 1.17 g/cm³
• LogP: 2.03690
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyl-2-phenyloxazol-5(4H)-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2C(=O)OC(=N2)C3=CC=CC=C3

Technology Process of 4-Benzyl-2-phenyl-2-oxazoline-5-one

There total 21 articles about 4-Benzyl-2-phenyl-2-oxazoline-5-one 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%

DL-N-benzoylphenylalanine (2566-22-5,2901-76-0,37002-52-1) → 4-benzyl-2-phenyl-2-oxazolin-5-one (5874-61-3,21453-79-2,51127-19-6,75658-67-2)

Guidance literature:

With acetic acid; In dichloromethane; at 0 ℃; Reflux; Inert atmosphere;

DOI:10.1021/jo402828f

Reference yield: 88.0%

N-benzoyl-L-phenylalanine (2566-22-5) → 4-benzyl-2-phenyl-2-oxazolin-5-one (5874-61-3,21453-79-2,51127-19-6,75658-67-2)

Guidance literature:

With N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; In dichloromethane; for 1h; Heating;

DOI:10.1055/s-1982-29742

Reference yield: 87.0%

→ (S)-2-phenyl-4-benzyloxazolin-5-one (5874-61-3,21453-79-2,51127-19-6,75658-67-2)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

upstream raw materials:

4-benzylidene-2-phenyloxazole-5(4H)-one

DL-N-benzoylphenylalanine

N-benzoyl-L-phenylalanine

Phenylalanine

Downstream raw materials:

Benzoyl-D,L-phenylalanin-4-bromanilid

methyl (S)-2-(benzoylamino)-3-phenylpropanoate

(S)-ethyl N-benzoyl-phenylalaninate

(R)-4-Benzyl-2-phenyl-4H-oxazol-5-one