2-[(Octan-4-yl)oxy]-1-phenylethan-1-one

Base Information

• Chemical Name: 2-[(Octan-4-yl)oxy]-1-phenylethan-1-one
• CAS No.: 37062-63-8
• Molecular Formula: C16H24 O2
• Molecular Weight: 248.365
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID80696708
• Mol file: 37062-63-8.mol

Synonyms:SCHEMBL9998037;DTXSID80696708;2-octan-4-yloxy-1-phenylethanone;1-phenyl-2-(1-propylpentoxy)ethanone;2-[(Octan-4-yl)oxy]-1-phenylethan-1-one;A823516

Chemical Property of 2-[(Octan-4-yl)oxy]-1-phenylethan-1-one

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Melting Point: 30-32 °C
• Refractive Index: 1.49
• Boiling Point: 365.3°Cat760mmHg
• Flash Point: 147.2°C
• PSA: 26.30000
• Density: 0.953g/cm³
• LogP: 4.62850
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 219

Purity/Quality:

99%min ^*data from raw suppliers

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCC)OCC(=O)C1=CC=CC=C1

Technology Process of 2-[(Octan-4-yl)oxy]-1-phenylethan-1-one

There total 5 articles about 2-[(Octan-4-yl)oxy]-1-phenylethan-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: 99.0%

1-bromo-octane (111-83-1) + 4-Hydroxyacetophenone (99-93-4) → 1-(4-octyloxy-phenyl)-ethanone (37062-63-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

Reference yield:

octyloxybenzene (1818-07-1) + acetyl chloride (75-36-5) → 1-(4-octyloxy-phenyl)-ethanone (37062-63-8)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane;

DOI:10.2174/157017809789869564

Reference yield:

octyloxybenzene (1818-07-1) + acetic anhydride (108-24-7) → 1-(4-octyloxy-phenyl)-ethanone (37062-63-8)

Guidance literature:

With zinc(II) chloride;

upstream raw materials:

octyloxybenzene

acetic anhydride

1-bromo-octane

4-Hydroxyacetophenone

Downstream raw materials:

1-(4-octyloxyphenyl)-3-hydroxy-2-propen-1-one

1-(4-octyloxyphenyl)ethanol

3,4-di(p-octyloxybenzoyl)furoxan

α-bromomethyl p(n-octyloxy)phenyl cetone

Refernces

• 1、 -. "Near-infrared chlorinated aza-boron fluoride dye, and preparation method and application of dye". Paragraph 0032-0035. . Retrieved 2018/09/28.
• 2、 Lei, Zih-Yang,Lee, Gene-Hsiang,Lai, Chung K.. "Luminescent mesogenic borondifluoride complexes with the Schiff bases containing salicylideneamines and β-enaminoketones core systems". . p. 44 - 56. Retrieved 2018/04/02.