ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Base Information

Chemical Name:ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
CAS No.:15732-44-2
Molecular Formula:C₁₈H₁₃FO₅
Molecular Weight:328.297
Hs Code.:
DSSTox Substance ID:DTXSID201154147

Synonyms:15732-44-2;4H-1-Benzopyran-2-carboxylic acid, 3-(4-fluorophenyl)-7-hydroxy-4-oxo-, ethyl ester;ZINC00500397;Oprea1_578572;DTXSID201154147;EiM07-30388;STK717884;AKOS003625984;ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate;Ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:328.07470167
Heavy Atom Count:24
Complexity:536

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)F

Technology Process of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

There total 3 articles about ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate 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: 51.0%

: 15485-70-8
4'-fluoro-2,4-dihydroxydeoxybenzoin

: 4755-77-5
Ethyl oxalyl chloride

: 15732-44-2
ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Guidance literature:: With pyridine; at 20 ℃; for 2h;
DOI:10.1002/ejoc.201900078

Reference yield:

: 108-46-3
recorcinol

: 15732-44-2
ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: boron trifluoride diethyl etherate / 3 h / 85 °C

2: pyridine / 2 h / 20 °C

With pyridine; boron trifluoride diethyl etherate;
DOI:10.1002/ejoc.201900078

Reference yield:

: 405-50-5
p-Fluorophenylacetic acid

: 15732-44-2
ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: boron trifluoride diethyl etherate / 3 h / 85 °C

2: pyridine / 2 h / 20 °C

With pyridine; boron trifluoride diethyl etherate;
DOI:10.1002/ejoc.201900078