2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone
• CAS No.: 1003879-02-4
• Molecular Formula: C8H5Br2FO
• Molecular Weight: 295.934
• Hs Code.: 2914790090
• European Community (EC) Number: 828-043-8
• DSSTox Substance ID: DTXSID50697202
• Wikidata: Q72452069
• Mol file: 1003879-02-4.mol

Synonyms:2-BROMO-1-(4-BROMO-3-FLUOROPHENYL)ETHANONE;1003879-02-4;2-bromo-1-(4-bromo-3-fluoro-phenyl)-ethanone;2-bromo-1-(4-bromo-3-fluorophenyl)ethan-1-one;SCHEMBL2953875;DTXSID50697202;IELTVOHIKAUZFA-UHFFFAOYSA-N;AMY26038;MFCD11847180;AKOS016006494;AS-41255;CS-0210947;FT-0769983;2-Bromo-1-(4-bromo-3-fluorophenyl)-ethanone;Ethanone, 2-bromo-1-(4-bromo-3-fluorophenyl)-;A850224;2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone, 97%

Chemical Property of 2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone

Chemical Property:

• PSA: 17.07000
• Density: 1.914
• LogP: 3.16580
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.86707
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-fluorophenacyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone

There total 6 articles about 2-Bromo-1-(4-bromo-3-fluorophenyl)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: 44.0%

1-(4-bromo-3-fluorophenyl)ethan-1-one (304445-49-6) → 2-bromo-1-(4-bromo-3-fluorophenyl)ethanone (1003879-02-4)

Guidance literature:

With copper(ll) bromide; In ethyl acetate; at 60 ℃; for 12h;

Reference yield:

4-bromo-3-fluorobenzoyl chloride (695188-21-7) + diazomethyl-trimethyl-silane (18107-18-1) → 2-bromo-1-(4-bromo-3-fluorophenyl)ethanone (1003879-02-4) + 2-chloro-1-(4-bromo-3-fluorophenyl)-ethanone (1260857-14-4)

Guidance literature:

4-bromo-3-fluorobenzoyl chloride; diazomethyl-trimethyl-silane; In tetrahydrofuran; diethyl ether; acetonitrile; at 0 - 20 ℃; for 0.5h;

With hydrogen bromide; In tetrahydrofuran; diethyl ether; water; acetonitrile; at 0 - 20 ℃; for 1h;

Reference yield:

2-Diazo-1-(4-bromo-3-fluorophenyl)ethanone (1263483-58-4) → 2-bromo-1-(4-bromo-3-fluorophenyl)ethanone (1003879-02-4)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; for 0.166667h; Cooling with ice;

upstream raw materials:

4-bromo-3-fluorobenzoic acid

4-bromo-3-fluoro-N-methoxy-N-methyl-benzamide

1-(4-bromo-3-fluorophenyl)ethan-1-one

2-Diazo-1-(4-bromo-3-fluorophenyl)ethanone

Downstream raw materials:

C₄₀H₄₇FN₆O₄S

C₄₄H₅₃FN₈O₆S

tert-butyl 2-(3-(4-fluorobenzamido)-1H-indazol-6-yl)morpholine-4-carboxylate

tert-butyl 2-(4-cyano-3-fluorophenyl)morpholine-4-carboxylate

Refernces

• 1、 -. "HEPATITIS B ANTIVIRAL AGENTS". Paragraph 0270. . Retrieved 2016/12/12.
• 2、 -. "Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof". Paragraph 0837; 0838; 0839. . Retrieved 2015/03/28.