4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone

Base Information

• Chemical Name: 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone
• CAS No.: 172168-03-5
• Molecular Formula: C18H17NO3
• Molecular Weight: 295.33
• DSSTox Substance ID: DTXSID60569946
• Nikkaji Number: J690.434C
• Mol file: 172168-03-5.mol

Synonyms:172168-03-5;4-[(4-METHOXYPHENYL)METHYL]-4-METHYL-2-PHENYL-5(4H)-OXAZOLONE;4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one;4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-;DTXSID60569946;AKOS030255482;4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one;4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

Chemical Property of 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone

Chemical Property:

• PSA: 47.89000
• LogP: 2.43560
• Storage Temp.: Refrigerator
• Solubility.: Dichloromethane, DMSO
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 295.12084340
• Heavy Atom Count: 22
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)OC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)OC
• Uses: 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone (cas# 172168-03-5) is a compound useful in organic synthesis.

Technology Process of 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone

There total 3 articles about 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone 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: 74.0%

2-phenyl-4-methyl-4H-oxazolin-5-one (51127-13-0,71963-72-9,87480-74-8,13302-43-7) + p-Methoxybenzyl bromide (2746-25-0) → rac-4-(4-methoxybenzyl)-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one (172168-03-5)

Guidance literature:

With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; In tetrahydrofuran; at 20 ℃; for 0.0166667h;

DOI:10.1055/s-0032-1317801

Reference yield:

N-Benzoylalanine (2198-64-3,1205-02-3,90988-29-7) → rac-4-(4-methoxybenzyl)-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one (172168-03-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N'-dicyclohexylcarbodiimide / CH₂Cl₂ / 1.) 30 min, 0 deg C, 2.) 1 h, room temperature

2: 55 percent NaH / dimethylformamide / 1.) 30 min, 10 - 15 deg C, 2.) 1 h, room temperature

With sodium hydride; dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/hlca.19940770520

Reference yield:

2-phenyl-4-methyl-4H-oxazolin-5-one (51127-13-0,71963-72-9,87480-74-8,13302-43-7) + p-methoxybenzyl chloride (824-94-2) → rac-4-(4-methoxybenzyl)-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one (172168-03-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; Yield given; 1.) 30 min, 10 - 15 deg C, 2.) 1 h, room temperature;

DOI:10.1002/hlca.19940770520

upstream raw materials:

2-phenyl-4-methyl-4H-oxazolin-5-one

p-methoxybenzyl chloride

N-Benzoylalanine

p-Methoxybenzyl bromide

Downstream raw materials:

N²-<(R)-N²-benzoyl-O^4',2-dimethyltyrosyl>-(S)-phenylalanine cyclohexylamide

N²-<(S)-N²-benzoyl-O^4',2-dimethyltyrosyl>-(S)-phenylalanine cyclohexylamide

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