2'-Fluoro-4'-octyloxyacetophenone

Base Information

• Chemical Name: 2'-Fluoro-4'-octyloxyacetophenone
• CAS No.: 203066-98-2
• Molecular Formula: C16H23FO2
• Molecular Weight: 266.356
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID00379167
• Wikidata: Q82168853
• Mol file: 203066-98-2.mol

Synonyms:2'-Fluoro-4'-octyloxyacetophenone;203066-98-2;1-(2-fluoro-4-octoxyphenyl)ethanone;SCHEMBL9720060;DTXSID00379167;2-FLUORO-4-OCTYLOXYACETOPHENONE;1-(2-Fluoro-4-(octyloxy)phenyl)ethanone;Ethanone,1-[2-fluoro-4-(octyloxy)phenyl]-

Chemical Property of 2'-Fluoro-4'-octyloxyacetophenone

Chemical Property:

• Boiling Point: 357.1 °C at 760 mmHg
• Flash Point: 164 °C
• PSA: 26.30000
• Density: 1.019 g/cm³
• LogP: 4.76760
• Water Solubility.: at 25 deg C (mg/L): 0.1684
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 266.16820813
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

2'-FLUORO-4'-OCTYLOXYACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC(=C(C=C1)C(=O)C)F

Technology Process of 2'-Fluoro-4'-octyloxyacetophenone

There total 4 articles about 2'-Fluoro-4'-octyloxyacetophenone 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:

1-bromo-octane (111-83-1) + 1-(2-fluoro-4-hydroxyphenyl)ethanone (98619-07-9) → fluoro-4-octyloxyacetophenone (203066-98-2)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1039/b201467j

Reference yield:

1-bromo-octane (111-83-1) → fluoro-4-octyloxyacetophenone (203066-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide

In N,N-dimethyl-formamide;

DOI:10.1080/10587259608034083

Reference yield:

3-fluorophenol (372-20-3) → fluoro-4-octyloxyacetophenone (203066-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide

In N,N-dimethyl-formamide;

DOI:10.1080/10587259608034083

upstream raw materials:

3-fluorooctyloxybenzene

1-bromo-octane

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

3-fluorophenol

Downstream raw materials:

4-octyloxy-2-fluorobenzoic acid

3-fluoro-4-octyloxybenzoic acid

Refernces

• 1、 Blake,Chipperfield,Clark. "Effects of fluoro-substitution on mesogenic properties of copper and oxovanadium(IV) complexes derived from β-(4-alkoxyphenyl)-dialdehydes". . p. 305 - 308. Retrieved 2007/10/03.