2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)ethanone
• CAS No.: 166831-65-8
• Molecular Formula: C9H7 F3 O S
• Molecular Weight: 220.215
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80375263
• Nikkaji Number: J2.141.898F
• Wikidata: Q82163790
• Mol file: 166831-65-8.mol

Synonyms:166831-65-8;2'-Thiomethyl-2,2,2-trifluoroacetophenone;2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone;Ethanone, 2,2,2-trifluoro-1-[2-(methylthio)phenyl]- (9CI);2,2,2-trifluoro-1-(2-(methylthio)phenyl)ethanone;2,2,2-trifluoro-1-[2-(methylsulfanyl)phenyl]ethan-1-one;DTXSID80375263;RNBAEXYXSJBXPN-UHFFFAOYSA-N;MFCD01319975;AKOS016022610;CS-0303909;EN300-1933914;J-010310;2,2,2-Trifluoro-1-(2-(methylthio)phenyl)ethan-1-one;alpha,alpha,alpha-Trifluoro-2'-(methylthio)acetophenone

Chemical Property of 2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0388mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 240°Cat760mmHg
• Flash Point: 99°C
• PSA: 42.37000
• Density: 1.32g/cm³
• LogP: 3.15350
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.01697050
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1C(=O)C(F)(F)F

Technology Process of 2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)ethanone

There total 1 articles about 2,2,2-Trifluoro-1-(2-methylsulfanylphenyl)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%

N,N-diethyl-2,2,2-trifluoroacetamide (360-92-9) + 2-bromo-1-(methylsulfanyl)benzene (19614-16-5) → 2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone (166831-65-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 1h;

DOI:10.1055/s-1995-3956

Reference yield: 96.0%

2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone (166831-65-8) → 2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone oxime

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; ethanol; for 6h; Heating;

DOI:10.1055/s-1995-3956

Reference yield: 94.0%

2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone (166831-65-8) → 2,2,2-trifluoro-1-(2-methylsulfanyl-phenyl)-ethylamine; hydrochloride

Guidance literature:

2,2,2-trifluoro-1-(2-methylsulfanylphenyl)ethanone; With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at 20 ℃;

With sodium hydroxide; dimethylsulfide borane complex; In tetrahydrofuran; toluene; at 20 ℃;

With hydrogenchloride; In diethyl ether; toluene; at 20 ℃;

DOI:10.1021/ol047431x

upstream raw materials:

N,N-diethyl-2,2,2-trifluoroacetamide

2-bromo-1-(methylsulfanyl)benzene

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