2-Fluoro-4-methoxyphenacyl bromide

Base Information

• Chemical Name: 2-Fluoro-4-methoxyphenacyl bromide
• CAS No.: 157014-35-2
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.064
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10408518
• Nikkaji Number: J1.623.820A
• Mol file: 157014-35-2.mol

Synonyms:157014-35-2;2-Fluoro-4-methoxyphenacyl bromide;2-Bromo-1-(2-fluoro-4-methoxyphenyl)ethanone;2-Bromo-2'-fluoro-4'-methoxyacetophenone;2-bromo-1-(2-fluoro-4-methoxy-phenyl)ethanone;MFCD03730100;2-bromo-2'-fluoro-4'-methoxyacetphenone;Ethanone, 2-bromo-1-(2-fluoro-4-methoxyphenyl)-;2-Bromo-1-(2-Fluoro-4-Methoxyphenyl)Ethan-1-One;SCHEMBL2100809;DTXSID10408518;OKLFPKDKQYVRNJ-UHFFFAOYSA-N;AM767;CL9263;AKOS003679989;AS-46265;SY239151;CS-0212039;FT-0707501;A809793;J-009366;2-Bromo-1-(2-fluoro-4-methoxyphenyl)ethanone, AldrichCPR

Chemical Property of 2-Fluoro-4-methoxyphenacyl bromide

Chemical Property:

• Vapor Pressure: 0.00171mmHg at 25°C
• Boiling Point: 293.6oC at 760 mmHg
• Flash Point: 131.3oC
• PSA: 26.30000
• Density: 1.521g/cm3
• LogP: 2.41190
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.96917
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluoro-4-methoxyphenacylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)CBr)F

Technology Process of 2-Fluoro-4-methoxyphenacyl bromide

There total 2 articles about 2-Fluoro-4-methoxyphenacyl 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: 90.0%

1-(2-fluoro-4-methoxyphenyl)-1-ethanone (74457-86-6) → 2-bromo-2'-fluoro-4'-methoxyacetophenone (157014-35-2)

Guidance literature:

With bromine; In dichloromethane;

Reference yield:

→ 2-bromo-2'-fluoro-4'-methoxyacetophenone (157014-35-2)

Guidance literature:

Reference yield: 73.0%

1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-ethane-1-one (141548-56-3) + 2-bromo-2'-fluoro-4'-methoxyacetophenone (157014-35-2) → 1,4-bis(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)butane-1,4-dione (1403674-72-5)

Guidance literature:

1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-ethane-1-one; With potassium hexamethylsilazane; In tetrahydrofuran; toluene; at -78 ℃; for 1h;

2-bromo-2'-fluoro-4'-methoxyacetophenone; In tetrahydrofuran; toluene; at -78 - 20 ℃;

DOI:10.1021/jm300860j

upstream raw materials:

1-(2-fluoro-4-methoxyphenyl)-1-ethanone

Downstream raw materials:

8-benzoyl-2-(2-fluoro-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one

C₁₀H₉FN₂O

1,4-bis(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)butane-1,4-dione

4-(2-fluoro-4-methoxyphenyl)-1,2-bis(4-methoxyphenyl)-butane-1,4-dione

Refernces

• 1、 Sch?fer, Anja,Wellner, Anja,Strauss, Martin,Sch?fer, Andreas,Wolber, Gerhard,Gust, Ronald. "Influence of chlorine or fluorine substitution on the estrogenic properties of 1-alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles". supporting information. p. 9607 - 9618. Retrieved 2013/01/16.
• 2、 -. "Pyrrole derivatives and medicinal composition". . . Retrieved 2008/06/13.