Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-

Base Information

• Chemical Name: Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-
• CAS No.: 155242-42-5
• Molecular Formula: C15H13NO
• Molecular Weight: 223.274
• DSSTox Substance ID: DTXSID40477530
• Nikkaji Number: J643.491F
• Wikidata: Q82310293
• Mol file: 155242-42-5.mol

Synonyms:155242-42-5;(R)-2,4-Diphenyl-4,5-dihydrooxazole;Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-;SCHEMBL13495018;DTXSID40477530;V10359;10.14272/DTQJMAHDNUWGFH-AWEZNQCLSA-N.1;doi:10.14272/DTQJMAHDNUWGFH-AWEZNQCLSA-N.1

Chemical Property of Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-

Chemical Property:

• Melting Point: 32.0-32.5 °C
• Boiling Point: 373.2±31.0 °C(Predicted)
• PSA: 21.59000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 2.64030
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: C1[C@H](N=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-

There total 15 articles about Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)- 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: 99.0%

N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (74213-58-4) → 2,4-diphenyl-Δ2-oxazoline (155242-42-5)

Guidance literature:

With Nonafluorobutanesulfonyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 - 20 ℃;

Reference yield: 99.0%

2,4-diphenyl-1,3-oxazole (838-41-5) → 2,4-diphenyl-Δ2-oxazoline (155242-42-5)

Guidance literature:

With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); C₄₈H₄₄Fe₂P₂; hydrogen; N,N,N',N'-tetramethylguanidine; In 2-methyl-propan-1-ol; at 80 ℃; for 4h; enantioselective reaction;

DOI:10.1080/10426507.2014.974752

Reference yield: 95.0%

C21H19NO2 → 2,4-diphenyl-Δ2-oxazoline (155242-42-5)

Guidance literature:

With D-(+)-camphoric acid; C₂₅H₃₀N₂O₂; In diethyl ether; pentane; at 23 ℃; for 1h; Reagent/catalyst; enantioselective reaction; Irradiation;

DOI:10.1038/s41557-020-0482-8

upstream raw materials:

D-2-phenylglycinol

benzoic acid

N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

orthobenzoic acid trimethyl ester

Downstream raw materials:

(S)-N-(3-oxo-1-phenylpropyl)benzamide

N-(1-phenylethyl)benzamide

(R)-N-(3-oxo-1-phenylpropyl)benzamide

N-[(1R)-2-hydroxy-1-phenylethyl]benzamide