Cyclopropyl 3-fluorophenyl ketone

Base Information

• Chemical Name: Cyclopropyl 3-fluorophenyl ketone
• CAS No.: 77972-82-8
• Molecular Formula: C10H9FO
• Molecular Weight: 164.18
• Hs Code.: 2914700090
• European Community (EC) Number: 819-646-7
• DSSTox Substance ID: DTXSID00505828
• Wikidata: Q82361172
• Mol file: 77972-82-8.mol

Synonyms:CYCLOPROPYL 3-FLUOROPHENYL KETONE;77972-82-8;Cyclopropyl(3-fluorophenyl)methanone;cyclopropyl-(3-fluorophenyl)methanone;MFCD03841220;CYCLOPROPYL3-FLUOROPHENYLKETONE;DTXSID00505828;CDA97282;AKOS010016321;CS-0455763;N12748;EN300-1231922;Z513735734

Chemical Property of Cyclopropyl 3-fluorophenyl ketone

Chemical Property:

• Vapor Pressure: 0.0337mmHg at 25°C
• Boiling Point: 242.6°C at 760 mmHg
• Flash Point: 95.2°C
• PSA: 17.07000
• Density: 1.22g/cm³
• LogP: 2.41840
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.063743068
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

Cyclopropyl3-fluorophenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC(=CC=C2)F

Technology Process of Cyclopropyl 3-fluorophenyl ketone

There total 1 articles about Cyclopropyl 3-fluorophenyl ketone 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:

3-fluorobromobenzene (1073-06-9) + cyclopropropanecarbonitrile (5500-21-0) → 3-fluorophenyl cyclopropyl ketone (77972-82-8)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) ether, reflux, 1 h, 2.) reflux, 1.5 h;

DOI:10.1039/P19810000700

Reference yield: 70.0%

2-cyanomethylthiophene (20893-30-5) + 3-fluorophenyl cyclopropyl ketone (77972-82-8) → 9a-(3-fluorophenyl)-7,8,9,9a-tetrahydrothieno[2,3-g]indolizin-5(4H)-one (1429308-63-3)

Guidance literature:

With tributylphosphine; boron trifluoride diethyl etherate; copper(I) bromide; In nitromethane; at 90 ℃; for 18h;

DOI:10.1039/c3cc40643a

Reference yield:

N-Methylformamide (123-39-7) + 3-fluorophenyl cyclopropyl ketone (77972-82-8) → 2-(3-fluorophenyl)-1-methylpyrrolidine (77972-92-0)

Guidance literature:

With magnesium chloride; for 24h; Yield given; Heating;

DOI:10.1039/P19810000700

upstream raw materials:

3-fluorobromobenzene

cyclopropropanecarbonitrile

Downstream raw materials:

2-(3-fluorophenyl)-1-methylpyrrolidine

9a-(3-fluorophenyl)-7,8,9,9a-tetrahydrothieno[2,3-g]indolizin-5(4H)-one

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