4-Fluoro-3-(trifluoromethyl)phenacyl bromide

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)phenacyl bromide
• CAS No.: 537050-14-9
• Molecular Formula: C9H5BrF4O
• Molecular Weight: 285.036
• Hs Code.: 2914700090
• European Community (EC) Number: 689-991-4
• DSSTox Substance ID: DTXSID50381134
• Wikidata: Q72477477
• Mol file: 537050-14-9.mol

Synonyms:537050-14-9;4-FLUORO-3-(TRIFLUOROMETHYL)PHENACYL BROMIDE;2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone;2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;4-Fluoro-3-(trifluoromethyl)phenacylbromid;2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone;4-FLUORO-3-(TRIFLUOROMETHYL)PHENACYL BROMID;2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one;MFCD03094509;2-BROMO-4'-FLUORO-3'-TRIFLUOROMETHYLACETOPHENONE;4-Fluoro-3-(trifluoromethyl)phenacylbromide;SCHEMBL129133;DTXSID50381134;AMY10439;BCP27087;BBL104123;CL8633;STL557938;AKOS005063989;CS-W012235;DS-1523;AC-23472;SY013120;A7814;B5213;FT-0651567;J-515361;2-bromo-1-(4-fluoro-3-trifluoromethyl-phenyl)-ethanone;4-Fluoro-3-(trifluoromethyl)phenacyl bromide, AldrichCPR;2-bromo-1-[4-fluoro-3(trifluoromethyl)phenyl]-1-ethanone

Chemical Property of 4-Fluoro-3-(trifluoromethyl)phenacyl bromide

Chemical Property:

• Vapor Pressure: 0.0225mmHg at 25°C
• Melting Point: 42-44 °C
• Refractive Index: 1.481
• Boiling Point: 249.7 °C at 760 mmHg
• Flash Point: 104.8 °C
• PSA: 17.07000
• Density: 1.658 g/cm³
• LogP: 3.42210
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 283.94599
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

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

4-Fluoro-3-(trifluoromethyl)phenacyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F

Technology Process of 4-Fluoro-3-(trifluoromethyl)phenacyl bromide

There total 2 articles about 4-Fluoro-3-(trifluoromethyl)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-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone (208173-24-4) → 2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one (537050-14-9)

Guidance literature:

In chloroform; ethyl acetate; for 6h; Reflux;

Reference yield:

→ 2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one (537050-14-9)

Guidance literature:

Reference yield: 100.0%

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one (537050-14-9) → 2-amino-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone hydrochloride (1082949-76-5)

Guidance literature:

2-bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethan-1-one; With hexamethylenetetramine; In ethyl acetate; at 20 ℃;

With hydrogenchloride; ethanol; at 20 ℃;

upstream raw materials:

1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone

Downstream raw materials:

(2-amino-1-(4-fluoro, 3-trifluoromethyl-phenyl)-ethanone) p-toluenesulfonate

2-amino-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone hydrochloride

1-benzyl-4-[5-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperazine

(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-N-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-(2,2-difluoroethyl)cyclopropyl)-1-((S)-2-(4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylamino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide

Refernces

• 1、 -. "6-PHENYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE3A AND PDE3B INHIBITORS FOR TREATING CANCER". Page/Page column 152. . Retrieved 2019/02/15.
• 2、 -. "PYRAZOLO [1,5-A]PYRAZINE DERIVATIVE AS ANTAGONISTS OF V1B RECEPTORS". Page/Page column 72. . Retrieved 2009/12/05.