4'-Fluoro-7-(1-methylethoxy)isoflavone

Base Information

• Chemical Name: 4'-Fluoro-7-(1-methylethoxy)isoflavone
• CAS No.: 131814-58-9
• Molecular Formula: C18H15FO3
• Molecular Weight: 298.3083
• DSSTox Substance ID: DTXSID10157216
• Wikidata: Q83025368
• Mol file: 131814-58-9.mol

Synonyms:BRN 4757357;4'-Fluoro-7-(1-methylethoxy)isoflavone;Isoflavone, 4'-fluoro-7-(1-methylethoxy)-;131814-58-9;3-(4-Fluorophenyl)-7-(1-methylethoxy)-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 3-(4-fluorophenyl)-7-(1-methylethoxy)-;3-(4-fluorophenyl)-7-isopropoxy-4H-chromen-4-one;Oprea1_035875;3-(4-fluorophenyl)-7-(propan-2-yloxy)-4H-chromen-4-one;DTXSID10157216;STL510923;AKOS001041282;SR-01000037487;SR-01000037487-1;Z56867263

Chemical Property of 4'-Fluoro-7-(1-methylethoxy)isoflavone

Chemical Property:

• Vapor Pressure: 1.18E-07mmHg at 25°C
• Boiling Point: 431.6°C at 760 mmHg
• Flash Point: 207.2°C
• Density: 1.238g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 298.10052250
• Heavy Atom Count: 22
• Complexity: 438

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F

Technology Process of 4'-Fluoro-7-(1-methylethoxy)isoflavone

There total 2 articles about 4'-Fluoro-7-(1-methylethoxy)isoflavone 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%

2-iodo-propane (75-30-9) + 7-hydroxy-3-(4'-fluorophenyl)-4H-1-benzopyran-4-one (15584-10-8) → 3-(4-Fluoro-phenyl)-7-isopropoxy-chromen-4-one (131814-58-9)

Guidance literature:

With potassium carbonate; In acetone; at 56 ℃;

DOI:10.1007/BF00767029

Reference yield:

4'-fluoro-2,4-dihydroxydeoxybenzoin (15485-70-8) → 3-(4-Fluoro-phenyl)-7-isopropoxy-chromen-4-one (131814-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

2: 92 percent / potassium carbonate / acetone / 56 °C

With boron trifluoride diethyl etherate; potassium carbonate; phosphorus trichloride; In acetone;

DOI:10.1007/BF00767029

Reference yield:

3-(4-Fluoro-phenyl)-7-isopropoxy-chromen-4-one (131814-58-9) → 4-isopropoxy-7a-(4-fluorophenyl)-1a,7a-dihydrobenzopyrano[2,3-b]azirin-7-one

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; hydroxylamine hydrochloride / ethanol / Reflux

2: ethanol; water / 1.5 h / 20 °C / Inert atmosphere; Irradiation

With hydroxylamine hydrochloride; triethylamine; In ethanol; water;

DOI:10.1039/c4ra12542h

upstream raw materials:

2-iodo-propane

7-hydroxy-3-(4'-fluorophenyl)-4H-1-benzopyran-4-one

4'-fluoro-2,4-dihydroxydeoxybenzoin