1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate
• CAS No.: 38828-30-7
• Molecular Formula: C22H18O4
• Molecular Weight: 346.383
• DSSTox Substance ID: DTXSID90542904
• Mol file: 38828-30-7.mol

Synonyms:38828-30-7;1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate;DTXSID90542904

Chemical Property of 1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 346.12050905
• Heavy Atom Count: 26
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of 1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate

There total 4 articles about 1-(4-Methoxyphenyl)-2-oxo-2-phenylethyl benzoate 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: 72.0%

1-cyanobenzyl benzoate (4242-46-0) + 4-methoxy-benzaldehyde (123-11-5) → 4-Methoxybenzoin benzoate (38828-30-7)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; benzene; Ambient temperature;

DOI:10.1016/S0040-4020(01)96667-0

Reference yield: 47.0%

4'-methoxybenzoin (1889-84-5) + benzoyl chloride (98-88-4) → 4-Methoxybenzoin benzoate (38828-30-7)

Guidance literature:

With pyridine; at 80 ℃; for 1h;

DOI:10.1055/s-1988-27712

Reference yield:

2-oxo-1,2-diphenylethyl 4-methoxybenzoate (114678-99-8) → phenyl benzyl ketone (451-40-1) + 1,2-diphenyl-2-oxoethyl benzoate (1459-20-7) + α-benzoyloxy-4-methoxy-deoxybenzoin (38828-29-4) + 4-Methoxybenzoin benzoate (38828-30-7)

Guidance literature:

With sodium hydride; In benzene; for 12h; Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00249a043

upstream raw materials:

1-cyanobenzyl benzoate

4-methoxy-benzaldehyde

2-oxo-1,2-diphenylethyl 4-methoxybenzoate

4'-methoxybenzoin

Downstream raw materials:

2-ethylsulfanyl-4-(4-methoxy-phenyl)-5-phenyl-1H-imidazole

4-methoxybenzoin