2'-Bromo-4'-fluoroacetophenone

Base Information

• Chemical Name: 2'-Bromo-4'-fluoroacetophenone
• CAS No.: 1006-39-9
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.037
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80371260
• Nikkaji Number: J2.042.572E
• Wikidata: Q72455641
• Mol file: 1006-39-9.mol

Synonyms:1006-39-9;2'-Bromo-4'-fluoroacetophenone;1-(2-bromo-4-fluorophenyl)ethanone;2-Bromo-4-fluoroacetophenone;1-Acetyl-2-bromo-4-fluorobenzene;Ethanone, 1-(2-bromo-4-fluorophenyl)-;1-(2-bromo-4-fluorophenyl)ethan-1-one;1-(2-bromo-4-fluoro-phenyl)ethanone;SCHEMBL120277;DTXSID80371260;RCXFSBRMWBFWMH-UHFFFAOYSA-N;AM670;2\'-Bromo-4\'-fluoroacetophenone;CL8634;MFCD00077464;1-(2-Bromo-4-fluorophenyl)-ethanone;AKOS015835284;AC-3633;CS-W014824;1-(2-bromo-4-fluoro-phenyl)-ethanone;AS-46062;FT-0611447;FT-0611448;EN300-103964;Z1269135621

Chemical Property of 2'-Bromo-4'-fluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.0138mmHg at 25°C
• Melting Point: 48-50 °C
• Refractive Index: 1.549
• Boiling Point: 258.4 °C at 760 mmHg
• Flash Point: 110.1 °C
• PSA: 17.07000
• Density: 1.535 g/cm³
• LogP: 2.79080
• Storage Temp.: Refrigerator
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-4-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2'-Bromo-4'-fluoroacetophenone

There total 7 articles about 2'-Bromo-4'-fluoroacetophenone 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: 92.0%

1-(2-bromo-4-fluorophenyl)ethan-1-ol (261711-20-0) → 1-(2-bromo-4-fluorophenyl)ethanone (1006-39-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

2-bromo-4-fluorobenzaldehyde (59142-68-6) → 1-(2-bromo-4-fluorophenyl)ethanone (1006-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 3 h / 0 °C / Inert atmosphere

2: pyridinium chlorochromate; silica gel / dichloromethane / 2 h / 20 °C

With silica gel; pyridinium chlorochromate; In diethyl ether; dichloromethane;

DOI:10.1021/acs.orglett.5b02703

Reference yield:

(E)-3-(2-bromo-4-fluorophenyl)acrylic acid (289038-17-1) → 1-(2-bromo-4-fluorophenyl)ethanone (1006-39-9)

Guidance literature:

With iron(II) chloride; In ethanol; at 80 ℃; for 17h;

DOI:10.1039/d1cc01536b

upstream raw materials:

3-fluorobromobenzene

acetic anhydride

1-(4-fluorophenyl)ethanone

copper(II)bromide

Downstream raw materials:

2-(2-bromo-4-fluorolphenyl)quinoline

1-(2-oxo-2-phenylethyl)-2-chloro-5-[(E)-1-phenyl-2-methylcarbamoylvinyl]pyridinium iodide

1-[2-oxo-2-(4-fluorophenyl)ethyl]-2-chloro-5-[(E)-1-phenyl-2-methylcarbamoylvinyl]pyridinium iodide

2-bromo-1-(2-bromo-4-fluorophenyl)ethan-1-one

Refernces

• 1、 Wang, Zhixin,Li, Yang,Chen, Fan,Qian, Peng-Cheng,Cheng, Jiang. "The intramolecular reaction of acetophenoneN-tosylhydrazone and vinyl: Br?nsted acid-promoted cationic cyclization toward polysubstituted indenes". . p. 1810 - 1813. Retrieved 2021/02/27.
• 2、 Gong, Pei-Xue,Xu, Fangning,Cheng, Lu,Gong, Xu,Zhang, Jie,Gu, Wei-Jin,Han, Wei. "Iron-catalyzed domino decarboxylation-oxidation of α,β-unsaturated carboxylic acids enabled aldehyde C-H methylation". . p. 5905 - 5908. Retrieved 2021/06/18.