4'-(Fluoro)flavanone

Base Information

• Chemical Name: 4'-(Fluoro)flavanone
• CAS No.: 1840-02-4
• Molecular Formula: C15H11FO2
• Molecular Weight: 242.25
• DSSTox Substance ID: DTXSID90452670
• Nikkaji Number: J654.109G
• ChEMBL ID: CHEMBL60720
• Mol file: 1840-02-4.mol

Synonyms:4'-(Fluoro)flavanone;1840-02-4;2-(4-fluorophenyl)chroman-4-one;CHEMBL60720;(+/-)-2-(4-fluorophenyl)chroman-4-one;4h-1-benzopyran-4-one,2-(4-fluorophenyl)-2,3-dihydro-;4'-Fluoroflavanone;D0ZH0T;SCHEMBL2474548;DTXSID90452670;RFDPVHCUOLBALB-UHFFFAOYSA-N;BDBM50310197;2-(4-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Chemical Property of 4'-(Fluoro)flavanone

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.07430775
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)F

Technology Process of 4'-(Fluoro)flavanone

There total 21 articles about 4'-(Fluoro)flavanone 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: 99.0%

(E)-1-(2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one (1840-01-3,152897-41-1) → 2-(4-fluorophenyl)-2,3-dihydro-4H-chromen-4-one (1840-02-4)

Guidance literature:

In ethanol; pH=9.25; Kinetics;

DOI:10.1039/c4ob00398e

Reference yield: 93.0%

3-Chloro-2-(4-fluoro-phenyl)-3-nitro-chroman-4-one → 2-(4-fluorophenyl)-2,3-dihydro-4H-chromen-4-one (1840-02-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 4h; Heating;

DOI:10.1055/s-1997-1337

Reference yield: 90.0%

4'-(tributylstannyl)flavanone (1227828-30-9) → 2-(4-fluorophenyl)-2,3-dihydro-4H-chromen-4-one (1840-02-4)

Guidance literature:

With sodium triflate; sodium hydrogencarbonate; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate); silver(l) oxide; In acetone; at 23 - 65 ℃;

upstream raw materials:

3-(4-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one

2-iodophenyl acetate

1-(4-fluorophenyl)prop-2-yn-1-ol

Downstream raw materials:

3-(4-fluorophenyl)-4H-chromen-4-one

2-(4-fluorophenyl)-4H-chromen-4-one

(E)-1-(2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one

4-(4-Fluoro-phenyl)-3,4-dihydro-benzo[b][1,4]dioxepin-2-one