2-(3-Methoxyphenyl)-5-phenyloxazole

Base Information

• Chemical Name: 2-(3-Methoxyphenyl)-5-phenyloxazole
• CAS No.: 38705-20-3
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• Hs Code.: 2934999090
• European Community (EC) Number: 254-094-5
• DSSTox Substance ID: DTXSID50192000
• Nikkaji Number: J319.829D
• Wikidata: Q83064587
• Mol file: 38705-20-3.mol

Synonyms:2-(3-Methoxyphenyl)-5-phenyloxazole;38705-20-3;2-(3-Methoxyphenyl)-5-phenyl-oxazole;EINECS 254-094-5;Oxazole, 2-(3-methoxyphenyl)-5-phenyl-;2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole;Maybridge4_002111;Oprea1_821470;SCHEMBL4883708;DTXSID50192000;HMS1526P21;2-(3-Methoxyphenyl)-5-phenyloxazol;2-(3-methoxyphenyl-) 5-phenyloxazol;AKOS024371078;Methyl 3-(5-phenyl-1,3-oxazol-2-yl)phenyl ether;BRD-K78671953-001-01-5;Methyl 3-(5-phenyl-1,3-oxazol-2-yl)phenyl ether #

Chemical Property of 2-(3-Methoxyphenyl)-5-phenyloxazole

Chemical Property:

• Vapor Pressure: 3.64E-07mmHg at 25°C
• Boiling Point: 429°Cat760mmHg
• Flash Point: 213.2°C
• PSA: 35.26000
• Density: 1.142g/cm³
• LogP: 4.01720
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

2-(3-METHOXYPHENYL)-5-PHENYLOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=NC=C(O2)C3=CC=CC=C3

Technology Process of 2-(3-Methoxyphenyl)-5-phenyloxazole

There total 12 articles about 2-(3-Methoxyphenyl)-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: 88.0%

2-aminoacetophenone hydrochloride (5468-37-1) + 3-methoxy-benzaldehyde (591-31-1) → 2-(3-methoxyphenyl)-5-phenyloxazole (38705-20-3)

Guidance literature:

With tert.-butylhydroperoxide; iodine; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 70 ℃; for 10h;

DOI:10.1021/ol101596s

Reference yield: 85.0%

3-methoxybenzaldehyde oxime (38489-80-4) + phenylacetylene (536-74-3) → 2-(3-methoxyphenyl)-5-phenyloxazole (38705-20-3)

Guidance literature:

3-methoxybenzaldehyde oxime; With trifluorormethanesulfonic acid; silica gel; In toluene; at 50 ℃; for 0.5h;

phenylacetylene; In toluene; at 70 ℃; for 3.5h;

With copper(II) choride dihydrate; lithium chloride hydrate; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; propan-1-ol; toluene; at 60 ℃; for 4h; under 9750.98 Torr;

DOI:10.1002/jhet.1637

Reference yield: 75.0%

C16H15NO2 → 2-(3-methoxyphenyl)-5-phenyloxazole (38705-20-3)

Guidance literature:

With N-Bromosuccinimide; In 1,4-dioxane; for 1h; Reflux;

DOI:10.1055/s-0034-1380518

upstream raw materials:

2-aminoacetophenone hydrochloride

3-methoxy-benzaldehyde

styrene

3-METHOXYBENZYLAMINE

Downstream raw materials:

3-(5-phenyl-oxazol-2-yl)-phenol

Refernces

• 1、 Samimi, Heshmat A.,Dadvar, Farkhondeh. "N -Bromosuccinimide as a Brominating Agent for the Transformation of N -H (or N -Benzyl) Ketoaziridines into Oxazoles". . p. 1899 - 1904. Retrieved 2015/06/30.
• 2、 Hempel, Christian,Nachtsheim, Boris J.. "Iodine(III)-promoted synthesis of oxazoles through oxidative cyclization of N -styrylbenzamides". . p. 2119 - 2123. Retrieved 2013/10/21.