2'-Fluoro-4'-heptyloxyacetophenone

Base Information

• Chemical Name: 2'-Fluoro-4'-heptyloxyacetophenone
• CAS No.: 203066-88-0
• Molecular Formula: C₁₅H₂₁FO₂
• Molecular Weight: 252.329
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID50379051
• Wikidata: Q82168712
• Mol file: 203066-88-0.mol

Synonyms:2'-Fluoro-4'-heptyloxyacetophenone;203066-88-0;1-(2-fluoro-4-heptoxyphenyl)ethanone;SCHEMBL8992391;DTXSID50379051;AKOS025117205;1-(2-Fluoro-4-(heptyloxy)phenyl)ethanone;Ethanone,1-[2-fluoro-4-(heptyloxy)phenyl]-

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

Chemical Property:

• Boiling Point: 341.8 °C at 760 mmHg
• Flash Point: 155.2 °C
• PSA: 26.30000
• Density: 1.016 g/cm³
• LogP: 4.37750
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 252.15255807
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

2'-FLUORO-4'-HEPTYLOXYACETOPHENONE 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: CCCCCCCOC1=CC(=C(C=C1)C(=O)C)F

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

There total 1 articles about 2'-Fluoro-4'-heptyloxyacetophenone 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-Bromoheptane (629-04-9) + 1-(2-fluoro-4-hydroxyphenyl)ethanone (98619-07-9) → 1-(2-fluoro-4-heptyloxy-phenyl)-ethanone (203066-88-0)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1039/b201467j

Reference yield:

1-(2-fluoro-4-heptyloxy-phenyl)-ethanone (203066-88-0) → 2-fluoro-4-heptyloxy-benzoic acid (203066-90-4)

Guidance literature:

With sodium hydroxide; bromine; In 1,4-dioxane;

DOI:10.1039/b201467j

Reference yield:

1-(2-fluoro-4-heptyloxy-phenyl)-ethanone (203066-88-0) → C48H50F2N2O6

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; aq. NaOH / dioxane

2: DCC; DMAP / CH₂Cl₂ / 20 °C

With dmap; sodium hydroxide; bromine; dicyclohexyl-carbodiimide; In 1,4-dioxane; dichloromethane;

DOI:10.1039/b201467j

upstream raw materials:

1-Bromoheptane

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

Downstream raw materials:

2-fluoro-4-heptyloxy-benzoic acid