4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
• CAS No.: 84294-89-3
• Molecular Formula: C18H16O3
• Molecular Weight: 280.323
• DSSTox Substance ID: DTXSID40415755
• Nikkaji Number: J47.729J
• Wikidata: Q63409123
• ChEMBL ID: CHEMBL4453254
• Mol file: 84294-89-3.mol

Synonyms:84294-89-3;6-Methoxy-2-phenethyl-4H-chromen-4-one;4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-;CHEMBL4453254;6-Methoxy-2-(2-phenylethyl) chromone;6-METHOXY-2-(2-PHENYLETHYL)CHROMEN-4-ONE;2-Phenethyl-6-methoxychromone;DTXSID40415755;JOYYVGVYUHRBAE-UHFFFAOYSA-N;BDBM50508712;6-METHOXY-2-PHENETHYLCHROMONE;6-methoxy-2-(2-phenylethyl)-4H-chromen-4-one;Q63409123

Chemical Property of 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-

Chemical Property:

• Melting Point: 84-85 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
• Boiling Point: 443.8±45.0 °C(Predicted)
• PSA: 39.44000
• Density: 1.180±0.06 g/cm3(Predicted)
• LogP: 3.58680
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.109944368
• Heavy Atom Count: 21
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)CCC3=CC=CC=C3

Technology Process of 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-

There total 2 articles about 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)- 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: 79.0%

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one (705-15-7) → 6-methoxy-2-phenethyl-4H-chromen-4-one (84294-89-3)

Guidance literature:

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one; 3-phenylpropanoate; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.0833333h; Reflux; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1039/c8cc07787h

Reference yield: 50.0%

6-methoxy-2-[(1E)-2-phenylethenyl]-4H-1-benzopyran-4-one (136054-90-5) → 6-methoxy-2-phenethyl-4H-chromen-4-one (84294-89-3)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 1h; Heating;

Reference yield: 95.0%

6-methoxy-2-phenethyl-4H-chromen-4-one (84294-89-3) → (2S,4R)-6-methoxy-2-phenethylchroman-4-ol

Guidance literature:

With (S,Sp)-RuPHOX-Ru; hydrogen; sodium carbonate; In methanol; at 20 ℃; for 12h; under 15001.5 Torr; enantioselective reaction; Autoclave;

DOI:10.1039/c8cc07787h

upstream raw materials:

6-methoxy-2-[(1E)-2-phenylethenyl]-4H-1-benzopyran-4-one

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one