1-(5-Chloro-2-methoxyphenyl)-2-fluoroethanone

Base Information

• Chemical Name: 1-(5-Chloro-2-methoxyphenyl)-2-fluoroethanone
• CAS No.: 111840-97-2
• Molecular Formula: C₉H₈ClFO₂
• Molecular Weight: 202.613
• DSSTox Substance ID: DTXSID40553843
• Nikkaji Number: J3.008.247H
• Wikidata: Q82434539
• Mol file: 111840-97-2.mol

Synonyms:1-(5-chloro-2-methoxyphenyl)-2-fluoroethanone;111840-97-2;Ethanone, 1-(5-chloro-2-methoxyphenyl)-2-fluoro- (9CI);DTXSID40553843;1-(5-Chloro-2-methoxyphenyl)-2-fluoroethan-1-one

Chemical Property of 1-(5-Chloro-2-methoxyphenyl)-2-fluoroethanone

Chemical Property:

• PSA: 26.30000
• LogP: 2.50080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0196853
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Cl)C(=O)CF

Technology Process of 1-(5-Chloro-2-methoxyphenyl)-2-fluoroethanone

There total 2 articles about 1-(5-Chloro-2-methoxyphenyl)-2-fluoroethanone 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: 63.0%

fluoroacetonitrile (503-20-8) + 4-chloromethoxybenzene (623-12-1) → 5-Chloro-2-methoxyphenyl fluoromethyl ketone (111840-97-2)

Guidance literature:

fluoroacetonitrile; 4-chloromethoxybenzene; With trifluorormethanesulfonic acid; In chloroform; at 50 ℃; Inert atmosphere;

With water; In chloroform; Cooling with ice;

DOI:10.1016/j.tetlet.2011.07.125

Reference yield:

→ 5-Chloro-2-methoxyphenyl fluoromethyl ketone (111840-97-2)

Guidance literature:

upstream raw materials:

fluoroacetonitrile

4-chloromethoxybenzene