2-Bromo-3'-trifluoromethoxyacetophenone

Base Information

• Chemical Name: 2-Bromo-3'-trifluoromethoxyacetophenone
• CAS No.: 237386-01-5
• Molecular Formula: C9H6BrF3O2
• Molecular Weight: 283.045
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10381079
• Wikidata: Q82171696
• Mol file: 237386-01-5.mol

Synonyms:237386-01-5;2-Bromo-3'-trifluoromethoxyacetophenone;3-(Trifluoromethoxy)phenacyl bromide;2-Bromo-1-(3-(trifluoromethoxy)phenyl)ethanone;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;2-Bromo-1-[3-(trifluoromethoxy)phenyl]ethan-1-one;2-Bromo-3'-(trifluoromethoxy)acetophenone;SCHEMBL311472;3-trifluoromethoxyphenacyl bromide;DTXSID10381079;CL8631;MFCD03094425;3-(trifluoromethoxy)-phenacyl bromide;AKOS015890470;AM83142;PS-9899;2-Bromo-3`-trifluoromethoxyacetophenone;CS-0084291;FT-0769056;A23148

Chemical Property of 2-Bromo-3'-trifluoromethoxyacetophenone

Chemical Property:

• Boiling Point: 240.9±35.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.621±0.06 g/cm3(Predicted)
• LogP: 3.16280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.95033
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-3''-trifluoromethoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3'-trifluoromethoxyacetophenone

There total 3 articles about 2-Bromo-3'-trifluoromethoxyacetophenone 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: 100.0%

1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6) → 2-bromo-1-(3-trifluoromethoxy-phenyl)ethanone (237386-01-5)

Guidance literature:

With bromine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6) → 2,2-dibromo-1-[3-(trifluoromethoxy)phenyl]-ethan-1-one (684220-63-1) + 2-bromo-1-(3-trifluoromethoxy-phenyl)ethanone (237386-01-5)

Guidance literature:

With hydrogen bromide; bromine; In water; acetic acid; at 20 - 40 ℃; for 2.25h;

Reference yield:

→ 2-bromo-1-(3-trifluoromethoxy-phenyl)ethanone (237386-01-5)

Guidance literature:

With bromine; In diethyl ether; at 0 - 25 ℃; for 15h;

upstream raw materials:

1-(3-trifluoromethoxy-phenyl)ethanone

Downstream raw materials:

4-(3-trifluoromethoxyphenyl)imidazole

2-oxo-2-(3-(trifluoromethoxy)phenyl)ethyl acetate

C₁₂H₇F₃N₂OS

3-oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile

Refernces

• 1、 -. "SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES". Page/Page column 14-15; 18; 46. . Retrieved 2019/11/12.
• 2、 Wang, Aihua,Prouty, Catherine P.,Pelton, Patricia D.,Yong, Maria,Demarest, Keith T.,Murray, William V.,Kuo, Gee-Hong. "Synthesis and discovery of 2,3-dihydro-3,8-diphenylbenzo[1,4]oxazines as a novel class of potent cholesteryl ester transfer protein inhibitors". scheme or table. p. 1432 - 1435. Retrieved 2010/07/06.