2-(4-Methoxyphenethyl)chromone

Base Information

• Chemical Name: 2-(4-Methoxyphenethyl)chromone
• CAS No.: 92911-82-5
• Molecular Formula: C18H16 O3
• Molecular Weight: 280.323
• DSSTox Substance ID: DTXSID80918896
• Nikkaji Number: J2.766.053C
• Wikidata: Q27105386
• Metabolomics Workbench ID: 68359
• ChEMBL ID: CHEMBL4468180
• Mol file: 92911-82-5.mol

Synonyms:2-(4-Methoxyphenethyl)chromone;92911-82-5;2-[2-(4-methoxyphenyl)ethyl]chromen-4-one;2-(2-(4-Methoxyphenyl)ethyl)chromone;9-Hydroxyselina-4,11-dien-14-oic acid;4H-1-Benzopyran-4-one, 2-[2-(4-methoxyphenyl)ethyl]-;Chromone, 2-[2-(4-methoxyphenyl)ethyl];2-[2-(4-Methoxyphenyl)ethyl]-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 2-(2-(4-methoxyphenyl)ethyl)-;2-[2-(4-Methoxyphenyl)ethyl]chromone;C08485;CHEBI:969;SCHEMBL8590733;CHEMBL4468180;DTXSID80918896;2-(4-Methoxyphenethyl)-4H-chromen-4-one;2-(2-(4'- Methoxyphenyl)-ethyl)-chromon;2-[2-(4-methoxyphenyl)ethyl]-4H-chromen-4-one;Q27105386

Chemical Property of 2-(4-Methoxyphenethyl)chromone

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Boiling Point: 429.7°C at 760 mmHg
• Flash Point: 205.5°C
• PSA: 39.44000
• Density: 1.18g/cm³
• LogP: 3.58680
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.109944368
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2

Technology Process of 2-(4-Methoxyphenethyl)chromone

There total 4 articles about 2-(4-Methoxyphenethyl)chromone 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: 55.0%

1-2'-hydroxyphenyl-5-4'-methoxyphenyl-1,3-pentanedione (92891-87-7) → 2-[2-(4'-methoxyphenyl)ethyl]-4H-chromen-4-one (92911-82-5)

Guidance literature:

With hydrogenchloride; In methanol; water; Reflux;

Reference yield:

3-(4-methoxyphenyl)propanoic acid (1929-29-9) → 2-[2-(4'-methoxyphenyl)ethyl]-4H-chromen-4-one (92911-82-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) thionylchloride / 1.) 85 deg C, 40 min, 2.) 95 deg C, 25 min, 140 deg C

2: KOH / pyridine / 0.25 h

3: c.c.H₂SO₄ / acetic acid

With potassium hydroxide; thionyl chloride; sulfuric acid; In pyridine; acetic acid;

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-[2-(4'-methoxyphenyl)ethyl]-4H-chromen-4-one (92911-82-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) thionylchloride / 1.) 85 deg C, 40 min, 2.) 95 deg C, 25 min, 140 deg C

2: KOH / pyridine / 0.25 h

3: c.c.H₂SO₄ / acetic acid

With potassium hydroxide; thionyl chloride; sulfuric acid; In pyridine; acetic acid;

upstream raw materials:

1-2'-hydroxyphenyl-5-4'-methoxyphenyl-1,3-pentanedione

3-(4-methoxyphenyl)propanoic acid

o-hydroxyacetophenone

2'-acetylphenyl 3-4'-methoxyphenylpropionate