2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one

Base Information

• Chemical Name: 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
• CAS No.: 78605-60-4
• Molecular Formula: C10H7F3O3
• Molecular Weight: 232.159
• DSSTox Substance ID: DTXSID40385949
• Nikkaji Number: J846.023J

Synonyms:78605-60-4;2-hydroxy-2-(trifluoromethyl)-3H-chromen-4-one;2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one;2-Hydroxy-2-(trifluoromethyl)chroman-4-one;2-hydroxy-2-trifluoromethylchroman-4-one;DTXSID40385949;JXFPVSFDZGQZRR-UHFFFAOYSA-N;STK806379;AKOS005608122;AF-407/36112023;SR-01000479211;SR-01000479211-1;2-(Trifluoromethyl)-2-hydroxy-2H-1-benzopyran-4(3H)-one;2-hydroxy-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-one

Chemical Property of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 232.03472857
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C2=CC=CC=C2OC1(C(F)(F)F)O

Technology Process of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one

There total 1 articles about 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one 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:

ethyl trifluoroacetate, (383-63-1) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-hydroxy-2-(trifluoromethyl)chroman-4-one (78605-60-4) + 1,5-Bis-(2-hydroxy-phenyl)-3-trifluoromethyl-pentane-1,5-dione

Guidance literature:

With lithium hydride; In 1,4-dioxane; Heating;

Reference yield: 95.0%

water (7732-18-5) + nickel(II) acetate tetrahydrate (6018-89-9) + 2-hydroxy-2-(trifluoromethyl)chroman-4-one (78605-60-4) → 2C10H5F3O3(2-)*2Ni(2+)*3H2O

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 1h;

DOI:10.1016/j.poly.2015.12.056

Reference yield: 90.0%

2-hydroxy-2-(trifluoromethyl)chroman-4-one (78605-60-4) → 5-hydroxy-3-(2-hydroxyphenyl)-5-trifluoromethyl-Δ2-isoxazoline (294875-43-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; for 1h; Heating;

DOI:10.1023/A:1020908831426

upstream raw materials:

ethyl trifluoroacetate,

o-hydroxyacetophenone

Downstream raw materials:

2-trifluoromethyl-4-chromone

2-((E)-1-(2-((E)-1-(2-hydroxyphenyl)ethylideneamino)ethylimino)ethyl)phenol

2-(7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepin-5-yl)-phenol

5-hydroxy-3-(2-hydroxyphenyl)-5-trifluoromethyl-Δ²-isoxazoline

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