2,2,2-Trifluoro-1-(9-anthryl)ethanol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(9-anthryl)ethanol
• CAS No.: 65487-67-4
• Molecular Formula: C₁₆H₁₁F₃O
• Molecular Weight: 276.258
• Hs Code.: 2914390090
• European Community (EC) Number: 265-791-9,258-611-5,670-952-5
• UNII: 5K227FG858
• DSSTox Substance ID: DTXSID70968284
• Nikkaji Number: J236.655J
• Wikipedia: Pirkle's_alcohol
• Wikidata: Q15425266
• Mol file: 65487-67-4.mol

Synonyms:1-(9-anthryl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-(9-anthryl)ethanol;2,2,2-trifluoro-1-(9-anthryl)ethanol, (+-)-isomer;2,2,2-trifluoro-1-(9-anthryl)ethanol, (R)-isomer;2,2,2-trifluoro-1-(9-anthryl)ethanol, (S)-isomer;F3EtOH-9-anth

Chemical Property of 2,2,2-Trifluoro-1-(9-anthryl)ethanol

Chemical Property:

• Melting Point: 142.0 to 144.0 °C
• Boiling Point: 423.1±45.0 °C(Predicted)
• PKA: 11.91±0.30(Predicted)
• PSA: 20.23000
• Density: 1.346±0.06 g/cm3(Predicted)
• LogP: 4.58870
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 276.07619946
• Heavy Atom Count: 20
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoro-1-(9-anthryl)ethanol >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C(F)(F)F)O

Technology Process of 2,2,2-Trifluoro-1-(9-anthryl)ethanol

There total 26 articles about 2,2,2-Trifluoro-1-(9-anthryl)ethanol 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: 95.0%

(1S,2S,3S,4R)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis-((R)-1-anthracen-9-yl-2,2,2-trifluoro-ethyl) ester (929108-82-7) → (R)-2,2,2-trifluoro-1-(9-anthryl)ethanol (53531-34-3,65487-67-4) + (+)-2-endo-3-exo-Bis(hydroxymethyl)-bicyclo<2.2.1>hept-5-ene (78037-77-1,448922-61-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/j.tetasy.2006.11.047

Reference yield: 95.0%

(1S,2S,3S,4R)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis-((R)-1-anthracen-9-yl-2,2,2-trifluoro-ethyl) ester (929108-82-7) → (R)-2,2,2-trifluoro-1-(9-anthryl)ethanol (53531-34-3,65487-67-4) + (1R,2S,3S,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (70190-87-3)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; for 4h;

DOI:10.1016/j.tetasy.2006.11.047

Reference yield: 95.0%

(1S,2S,3S,4R)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis-((R)-1-anthracen-9-yl-2,2,2-trifluoro-ethyl) ester (929108-82-7) + methanol (67-56-1) → (R)-2,2,2-trifluoro-1-(9-anthryl)ethanol (53531-34-3,65487-67-4) + (+)-(1R,2S,3S,4S)-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (135357-64-1)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 4h;

DOI:10.1016/j.tetasy.2006.11.047

upstream raw materials:

Bromotrifluoromethane

9-anthracene aldehyde

anthracene

ethyl trifluoroacetaldehyde hemiacetal

Downstream raw materials:

(+)-2,2,2-trifluoro-1-(9'-anthryl)ethanol

(1'R,3S,4S)-1-(9-anthryl)-2,2,2-trifluoroethyl-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate

3-[(S)-(2-Dimethylcarbamoyl-ethylsulfanyl)-(3-methoxy-phenyl)-methylsulfanyl]-propionic acid (R)-1-anthracen-9-yl-2,2,2-trifluoro-ethyl ester

3-[(R)-(2-Dimethylcarbamoyl-ethylsulfanyl)-(3-methoxy-phenyl)-methylsulfanyl]-propionic acid (R)-1-anthracen-9-yl-2,2,2-trifluoro-ethyl ester

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