3'-(Trifluoromethylthio)acetophenone

Base Information

• Chemical Name: 3'-(Trifluoromethylthio)acetophenone
• CAS No.: 56773-33-2
• Molecular Formula: C9H7F3OS
• Molecular Weight: 220.215
• Hs Code.: 2930909090
• European Community (EC) Number: 812-871-1
• DSSTox Substance ID: DTXSID00380677
• Nikkaji Number: J3.521.555G
• Wikidata: Q82171073
• Mol file: 56773-33-2.mol

Synonyms:3'-(Trifluoromethylthio)acetophenone;56773-33-2;1-[3-(trifluoromethylsulfanyl)phenyl]ethanone;1-(3-((Trifluoromethyl)thio)phenyl)ethanone;3-(TRIFLUOROMETHYLTHIO)ACETOPHENONE;SCHEMBL842358;DTXSID00380677;MFCD00236331;AKOS015853047;3'-[(Trifluoromethyl)thio]acetophenone;PS-11427;1-(3-(trifluoromethylthio)phenyl)ethanone;1-(3-trifluoromethylsulfanyl-phenyl)ethanone;FT-0640410;J3.521.555G;EN300-331822;1-{3-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one

Chemical Property of 3'-(Trifluoromethylthio)acetophenone

Chemical Property:

• Vapor Pressure: 0.37mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 197.9°Cat760mmHg
• Flash Point: 73.5°C
• PSA: 42.37000
• Density: 1.32g/cm³
• LogP: 3.50110
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.3
• 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:

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

3'-(Trifluoromethylthio)acetophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)SC(F)(F)F

Technology Process of 3'-(Trifluoromethylthio)acetophenone

There total 11 articles about 3'-(Trifluoromethylthio)acetophenone 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%

3-acetylphenyl nonaflate + tetramethylammonium trifluoromethanethiolate → 1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one (56773-33-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 45 ℃; Inert atmosphere;

DOI:10.1039/c5sc03359d

Reference yield: 90.0%

3-acetylphenyl trifluoromethanesulfonate (138313-22-1) + tetramethylammonium trifluoromethanethiolate → 1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one (56773-33-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 45 ℃; Inert atmosphere;

DOI:10.1039/c5sc03359d

Reference yield: 73.0%

3-acetylbenzenediazonium tetrafluoroborate + silver(I) trifluoromethanethiolate (811-68-7) → 1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one (56773-33-2)

Guidance literature:

With copper(l) iodide; potassium carbonate; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2019.04.018

upstream raw materials:

3-(trifluoromethylthio)benzoic acid

methyllithium

(trifluoromethyl)trimethylsilane

3'-iodoacetophenone

Downstream raw materials:

(3-trifluoromethylsulfanylphenyl)-oxoacetaldehyde

1-(3-trifluoromethanesulfinyl-phenyl)-ethanone

1-(3-trifluoromethanesulfonyl-phenyl)-ethanone

m-Trifluormethylthio-α-bromacetophenon