2-Bromo-1-(2,6-difluorophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(2,6-difluorophenyl)ethanone
• CAS No.: 56159-89-8
• Molecular Formula: C8H5BrF2O
• Molecular Weight: 235.028
• Hs Code.: 2914700090
• European Community (EC) Number: 638-898-7
• DSSTox Substance ID: DTXSID40380838
• Wikidata: Q72463624
• Mol file: 56159-89-8.mol

Synonyms:56159-89-8;2-bromo-1-(2,6-difluorophenyl)ethanone;2-Bromo-2',6'-difluoroacetophenone;2',6'-Difluorophenacyl bromide;2,6-Difluorophenacyl bromide;2-Bromo-1-(2,6-difluorophenyl)ethan-1-one;MFCD04038255;Ethanone, 2-bromo-1-(2,6-difluorophenyl)-;2-bromo-1-(2,6-difluorophenyl)-ethanone;2,6-Difluorophenacylbromide;2-bromo-1-(2,6-difluoro-phenyl)-ethanone;SCHEMBL1278384;DTXSID40380838;UZKLFNHMBFDXEN-UHFFFAOYSA-N;AMY14507;AKOS009003665;AS-18420;SY101467;CS-0157227;FT-0640360;EN300-13372;A830937;2-Bromo-1-(2,6-difluorophenyl)ethanone, AldrichCPR;1-(2-(3,4-dichlorobenzyl)phenyl)-n,n-dimethylmethanamine;2-Bromo-2 inverted exclamation mark ,6 inverted exclamation mark -difluoroacetophenone

Chemical Property of 2-Bromo-1-(2,6-difluorophenyl)ethanone

Chemical Property:

• Boiling Point: 234 °C at 760 mmHg
• Flash Point: 95.3 °C
• PSA: 17.07000
• Density: 1.648g/cm³
• LogP: 2.54240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.94918
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-2'',6''-difluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: C,F

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1-(2,6-difluorophenyl)ethanone

There total 1 articles about 2-Bromo-1-(2,6-difluorophenyl)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: 100.0%

2,6-difluoroacetophenone (13670-99-0) → 2-bromo-1-(2,6-difluorophenyl)ethanone (56159-89-8)

Guidance literature:

2,6-difluoroacetophenone; With aluminum (III) chloride; In diethyl ether; for 0.0833333h;

With bromine; In diethyl ether; at 10 - 20 ℃; for 2h;

Reference yield: 94.0%

2-bromo-1-(2,6-difluorophenyl)ethanone (56159-89-8) → 2-bromo-1-(2,6-difluoro-3-nitrophenyl)ethan-1-one (746630-00-2)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃;

Reference yield: 93.3%

α-(2-trifluoromethylbenzoyl)-α-cyanothioacetamide + 2-bromo-1-(2,6-difluorophenyl)ethanone (56159-89-8) → 2-[4-(2,6-difluorophenyl)-(1,3-thiazol-2-yl)]-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile

Guidance literature:

α-(2-trifluoromethylbenzoyl)-α-cyanothioacetamide; With triethylamine; In ethanol; at 20 ℃; for 0.25h;

2-bromo-1-(2,6-difluorophenyl)ethanone; In ethanol; for 2h;

upstream raw materials:

2,6-difluoroacetophenone

Downstream raw materials:

3-(2,6-difluorophenyl)-3-oxopropanenitrile

2-Amino-3-(2,6-difluorbenzoyl)-thiophen

2-Aminoacetylamino-3-(2,6-difluorbenzoyl)-thiophen

2-Amino-N-[5-chloro-3-(2,6-difluoro-benzoyl)-thiophen-2-yl]-acetamide

Refernces

• 1、 -. "BENZOXAZINE DERIVATIVES AS CRAC MODULATORS". Paragraph 0194. . Retrieved 2013/04/13.
• 2、 -. "Acid secretion inhibitor". Page/Page column 35. . Retrieved 2008/06/13.