4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-
• CAS No.: 127590-86-7
• Molecular Formula: C16H9F3O3
• Molecular Weight: 306.241
• DSSTox Substance ID: DTXSID00442562
• Nikkaji Number: J774.383A
• Wikidata: Q82259902
• ChEMBL ID: CHEMBL113949
• Mol file: 127590-86-7.mol

Synonyms:127590-86-7;4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-;7-Hydroxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen-4-one;7-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-chromen-4-one;CHEMBL113949;DTXSID00442562;YXAVDUCTQODQKN-UHFFFAOYSA-N;4'-(Trifluoromethyl)-7-hydroxyflavone

Chemical Property of 4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 306.05037863
• Heavy Atom Count: 22
• Complexity: 464

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)C(F)(F)F

Technology Process of 4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-

There total 8 articles about 4H-1-Benzopyran-4-one, 7-hydroxy-2-[4-(trifluoromethyl)phenyl]- 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: 88.0%

7-methoxy-2-(4-trifluoromethylphenyl)-4H-chromen-4-one → 7-hydroxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen-4-one (127590-86-7)

Guidance literature:

With pyridine hydrochloride; at 180 ℃; for 5h;

DOI:10.1002/ddr.21281

Reference yield: 56.8%

4-Trifluoromethylbenzaldehyde (455-19-6) + 2-chloro-1-(2,4-dihydroxyphenyl)ethanone (25015-92-3) → 7-hydroxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen-4-one (127590-86-7)

Guidance literature:

4-Trifluoromethylbenzaldehyde; 2-chloro-1-(2,4-dihydroxyphenyl)ethanone; With sodium hydroxide; at 20 ℃; for 72h;

With hydrogenchloride; In water; at 20 ℃; for 72h; pH=7;

DOI:10.2174/1573406410666140307152557

Reference yield:

1-(2,4-Dihydroxy-phenyl)-3-(4-trifluoromethyl-phenyl)-propane-1,3-dione → 7-hydroxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen-4-one (127590-86-7)

Guidance literature:

With sulfuric acid; acetic acid; at 100 ℃; for 1h; Yield given;

DOI:10.1016/0223-5234(96)85878-8

upstream raw materials:

4-Trifluoromethylbenzaldehyde

2-chloro-1-(2,4-dihydroxyphenyl)ethanone

recorcinol

2',4'-dihydroxy-4-acetophenone

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