1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione

Base Information

• Chemical Name: 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione
• CAS No.: 41126-22-1
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.285
• Hs Code.: 2914509090
• NSC Number: 47955
• DSSTox Substance ID: DTXSID00286842
• Nikkaji Number: J2.819.736E
• Wikidata: Q82022665
• ChEMBL ID: CHEMBL177754
• Mol file: 41126-22-1.mol

Synonyms:1,3-Propanedione,1-(o-methoxyphenyl)-3-phenyl- (6CI,7CI);1-(2-Methoxyphenyl)-3-phenylpropane-1,3-dione; NSC 47955

Chemical Property of 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione

Chemical Property:

• Vapor Pressure: 2.02E-07mmHg at 25°C
• Melting Point: 65 °C
• Boiling Point: 424.7°Cat760mmHg
• PKA: 9.34±0.33(Predicted)
• Flash Point: 189.6°C
• PSA: 43.37000
• Density: 1.151g/cm³
• LogP: 3.15090
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

≥99% ^*data from raw suppliers

1-(2-METHOXYPHENYL)-3-PHENYL-PROPANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)CC(=O)C2=CC=CC=C2

Technology Process of 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione

There total 7 articles about 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione 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: 92.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 2-Methoxyacetophenone (579-74-8) → 1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione (41126-22-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 70 ℃; for 8h; Inert atmosphere;

DOI:10.1002/adsc.202001169

Reference yield: 86.0%

1-(2-methoxyphenyl)-3-phenylprop-2-yn-1-one (16619-66-2) + Benzaldoxime (932-90-1) → 1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione (41126-22-1) + benzonitrile (100-47-0)

Guidance literature:

With triphenylphosphine; In dichloromethane; at 25 ℃; for 5h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1039/c8ob01861h

Reference yield: 56.0%

bromomethyl 2-methoxyphenyl ketone (31949-21-0) + phenylglyoxylic acid potassium salt (63468-90-6) → 1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione (41126-22-1)

Guidance literature:

With tetrabutylammomium bromide; In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 6h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201409361

upstream raw materials:

ethyl 2-methoxybenzoate

acetophenone

benzoic acid methyl ester

2-Methoxyacetophenone

Downstream raw materials:

(2-Methoxy-phenyl)-(2-phenyl-[1,8]naphthyridin-3-yl)-methanone

2-(2'-methoxyphenyl)-1,8-naphthyridine

1-(2-Methoxy-phenyl)-2,2-dimethyl-3-phenyl-propane-1,3-dione

(E)-1-(2-methoxyphenyl)-3-phenylprop-2-en-1-one