3-(Trifluoromethylthio)phenacyl bromide

Base Information

• Chemical Name: 3-(Trifluoromethylthio)phenacyl bromide
• CAS No.: 56773-34-3
• Molecular Formula: C₉H₆BrF₃OS
• Molecular Weight: 299.111
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID901221971
• Mol file: 56773-34-3.mol

Synonyms:3-(Trifluoromethylthio)phenacyl bromide;56773-34-3;2-bromo-1-[3-(trifluoromethylsulfanyl)phenyl]ethanone;2-bromo-1-{3-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one;DTXSID901221971;MFCD03094515;3-(Trifluoromethylthio)phenacylbromide;AKOS037655681;PS-9892;CS-0331754;2-Bromo-1-[3-[(trifluoromethyl)thio]phenyl]ethanone;2-Bromo-1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one

Chemical Property of 3-(Trifluoromethylthio)phenacyl bromide

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 297.92748
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethylthio)phenacyl bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

Useful:

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

Technology Process of 3-(Trifluoromethylthio)phenacyl bromide

There total 2 articles about 3-(Trifluoromethylthio)phenacyl bromide 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:

1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one (56773-33-2) → m-Trifluormethylthio-α-bromacetophenon (56773-34-3)

Guidance literature:

With bromine; acetic acid;

DOI:10.1016/j.bmcl.2009.12.096

Reference yield:

→ m-Trifluormethylthio-α-bromacetophenon (56773-34-3)

Guidance literature:

aus m-CF3-S-Ph-CO-CH3 mit AlCl3 und Br2;

Reference yield:

m-Trifluormethylthio-α-bromacetophenon (56773-34-3) + 2-amino-6-bromophenol (28165-50-6) → 2-(2-amino-6-bromophenoxy)-1-(3-trifluoromethylsulfanylphenyl)ethanone (956831-46-2)

Guidance literature:

With caesium carbonate; In acetonitrile;

DOI:10.1016/j.bmcl.2009.12.096

upstream raw materials:

1-(3-((trifluoromethyl)thio)phenyl)ethan-1-one

Downstream raw materials:

2-(2-amino-6-bromophenoxy)-1-(3-trifluoromethylsulfanylphenyl)ethanone

Refernces