2-Bromo-1-(3-fluorophenyl)ethan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(3-fluorophenyl)ethan-1-one
• CAS No.: 53631-18-8
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.037
• Hs Code.: 29147000
• European Community (EC) Number: 628-038-9
• DSSTox Substance ID: DTXSID60372073
• Nikkaji Number: J1.806.742K
• Wikidata: Q72456415
• Mol file: 53631-18-8.mol

Synonyms:53631-18-8;2-Bromo-1-(3-fluorophenyl)ethan-1-one;2-bromo-1-(3-fluorophenyl)ethanone;2-Bromo-3'-fluoroacetophenone;3-Fluorophenacyl bromide;ETHANONE, 2-BROMO-1-(3-FLUOROPHENYL)-;MFCD00109756;SCHEMBL167913;DTXSID60372073;alpha-Bromo-3'-fluoroacetophenone;ITAQNNGDCNFGID-UHFFFAOYSA-N;2-Bromo-1-(3-fluoro-phenyl)ethanone;2-bromo-1-(3-fluorophenyl)-ethanone;2-Bromo-3'-fluoroacetophenone, 97%;AKOS000210891;AM90108;CS-W008243;2-bromo-1-(3-fluoro-phenyl)-ethanone;UPCMLD0ENAT5442570:001;DS-13641;SY031402;A7802;FT-0615740;EN300-14918;2-Bromo-3 inverted exclamation mark -fluoroacetophenone;Z111411220

Chemical Property of 2-Bromo-1-(3-fluorophenyl)ethan-1-one

Chemical Property:

• Vapor Pressure: 0.0287mmHg at 25°C
• Melting Point: 34-35 °C
• Refractive Index: 1.548
• Boiling Point: 245.428 °C at 760 mmHg
• Flash Point: 102.232 °C
• PSA: 17.07000
• Density: 1.568 g/cm³
• LogP: 2.40330
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

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

2-Bromo-1-(3-fluorophenyl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 36/37/38-34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Bromo-1-(3-fluorophenyl)ethan-1-one

There total 6 articles about 2-Bromo-1-(3-fluorophenyl)ethan-1-one 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: 93.0%

1-bromo-2-(meta-fluorophenyl)ethyne (813414-83-4) → 2-bromo-1-(3-fluorophenyl)ethanone (53631-18-8)

Guidance literature:

With water; In 1,2-dichloro-ethane; at 20 ℃; for 14h;

DOI:10.1080/00397911.2018.1528616

Reference yield: 83.0%

1-(3-fluorophenyl)ethanone (455-36-7) → 2-bromo-1-(3-fluorophenyl)ethanone (53631-18-8)

Guidance literature:

With Oxone; ammonium bromide; In methanol; for 2h; regioselective reaction; Reflux;

DOI:10.1016/j.tetlet.2011.11.011

Reference yield: 77.0%

1-(3-fluorophenyl)ethanol (402-63-1) → 2-bromo-1-(3-fluorophenyl)ethanone (53631-18-8)

Guidance literature:

With Oxone; ammonium bromide; In methanol; water; at 20 ℃; for 24h; Green chemistry;

DOI:10.1039/c7nj00052a

upstream raw materials:

1-(3-fluorophenyl)ethanone

methanol

1-(3-fluorophenyl)ethanol

3-fluorostyrene

Downstream raw materials:

4-(3-fluorophenyl)-2-<<4(5)-methyl-5(4)-imidazolyl>methyl>thiazole

2-azido-1-(3'-fluorophenyl)ethanone

3-fluorobenzoylacetonitrile

C₁₂H₁₀FNO₃

Refernces

• 1、 Kang, Lei,Zhang, Jinlong,Yang, Huameng,Qian, Jinlong,Jiang, Gaoxi. "Base-Catalyzed Intramolecular Defluorination/O-Arylation Reaction for the Synthesis of 3-Fluoro-1,4-oxathiine 4,4-Dioxide". supporting information. p. 785 - 789. Retrieved 2021/04/09.
• 2、 -. "NOVEL SMALL MOLECULE SHC BLOCKERS FOR TREATING LIVER DISEASE AND METABOLIC DISEASE". Paragraph 00274-00275. . Retrieved 2021/07/10.