2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone
• CAS No.: 1823-63-8
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.122
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60466108
• Nikkaji Number: J2.073.305E
• Wikidata: Q82292559
• Mol file: 1823-63-8.mol

Synonyms:2,2,2-trifluoro-1-(4-hydroxyphenyl)ethanone;1823-63-8;2,2,2-TRIFLUORO-1-(4-HYDROXY-PHENYL)-ETHANONE;Ethanone, 2,2,2-trifluoro-1-(4-hydroxyphenyl)-;2,2,2-Trifluoro-4'-hydroxyacetophenone;MFCD09832168;4'-Hydroxy-2,2,2-trifluoroacetophenone;2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHAN-1-ONE;4-trifluoroacetylphenol;SCHEMBL2174033;DTXSID60466108;AMY28577;AKOS006328734;SB34533;AS-33006;SY028933;CS-0130348;FT-0645943;A856778;2,2,2-Trifluoro-4 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 114 °C
• Refractive Index: 1.481
• Boiling Point: 261.911 °C at 760 mmHg
• PKA: 7.60±0.13(Predicted)
• Flash Point: 112.2 °C
• PSA: 37.30000
• Density: 1.4 g/cm³
• LogP: 2.13720
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.02416388
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2-trifluoro-1-(4-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)O

Technology Process of 2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone

There total 11 articles about 2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone 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: 96.0%

4'-methoxy-2,2,2-trifluoroacetophenone (711-38-6) → 2,2,2-trifluoro-1-(4-hydroxyphenyl)ethan-1-one (1823-63-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 16h;

Reference yield: 90.0%

1-[4-[{(1,1-dimethylethyl)dimethylsilyl}oxy]phenyl]-2,2,2-trifluoroethan-1-one (760969-01-5) → 2,2,2-trifluoro-1-(4-hydroxyphenyl)ethan-1-one (1823-63-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.tetlet.2004.06.085

Reference yield: 68.0%

(4-bromophenoxy)trimethylsilane (17878-44-3) + ethyl trifluoroacetate, (383-63-1) → 2,2,2-trifluoro-1-(4-hydroxyphenyl)ethan-1-one (1823-63-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2011.10.055

upstream raw materials:

4'-methoxy-2,2,2-trifluoroacetophenone

1-[4-[{(1,1-dimethylethyl)dimethylsilyl}oxy]phenyl]-2,2,2-trifluoroethan-1-one

4-bromo-phenol

t-butyldimethylsilyl-4-bromophenol

Downstream raw materials:

2,2,2-Trifluor-4'-(2-diethylamino-ethoxy)-acetophenon

4-Pentyl-benzoic acid 4-(2,2,2-trifluoro-acetyl)-phenyl ester

4-Pentyl-cyclohexanecarboxylic acid 4-(2,2,2-trifluoro-acetyl)-phenyl ester

4'-Pentyl-bicyclohexyl-4-carboxylic acid 4-(2,2,2-trifluoro-acetyl)-phenyl ester

Refernces

• 1、 Hashimoto, Makoto,Ishida, Akiko,Misaka, Takumi,Nakagita, Tomoya,Tachrim, Zetryana Puteri,Wang, Lei. "Asymmetric synthesis of photophore-containing lactisole derivatives to elucidate sweet taste receptors". . . Retrieved 2020/06/30.
• 2、 Nagamani, Chikkannagari,Liu, Huiying,Moore, Jeffrey S.. "Mechanogeneration of Acid from Oxime Sulfonates". supporting information. p. 2540 - 2543. Retrieved 2016/03/12.