1-(3,4-Dioctoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3,4-Dioctoxyphenyl)ethanone
• CAS No.: 111195-33-6
• Molecular Formula: C24H40 O3
• Molecular Weight: 376.58
• DSSTox Substance ID: DTXSID701347529
• Mol file: 111195-33-6.mol

Synonyms:3',4'-(Dioctyloxy)acetophenone;111195-33-6;1-(3,4-dioctoxyphenyl)ethanone;DTXSID701347529;1-(3,4-bis(octyloxy)phenyl)ethanone;FT-0642721

Chemical Property of 1-(3,4-Dioctoxyphenyl)ethanone

Chemical Property:

• Melting Point: 59-61 °C
• Refractive Index: 1.5480 (estimate)
• Boiling Point: 465.09°C (rough estimate)
• PSA: 35.53000
• Density: 0.9696 (rough estimate)
• LogP: 7.36780
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 376.29774513
• Heavy Atom Count: 27
• Complexity: 356

Purity/Quality:

99%min ^*data from raw suppliers

3',4'-(DIOCTYLOXY)ACETOPHENONE 99.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=C(C=C(C=C1)C(=O)C)OCCCCCCCC

Technology Process of 1-(3,4-Dioctoxyphenyl)ethanone

There total 4 articles about 1-(3,4-Dioctoxyphenyl)ethanone 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: 89.0%

1,2-dioctyloxybenzene (4956-41-6) + acetyl chloride (75-36-5) → 3,4-di-n-octyloxyacetophenone (111195-33-6)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 20 ℃; Inert atmosphere;

DOI:10.1039/c8tc01737a

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 3,4-di-n-octyloxyacetophenone (111195-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / 6 h / Heating

2: AlCl₃ / CH₂Cl₂ / 6 h / -60 °C

With potassium hydroxide; aluminium trichloride; In ethanol; dichloromethane;

Reference yield:

1-bromo-octane (111-83-1) → 3,4-di-n-octyloxyacetophenone (111195-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / acetone / 48 h / Reflux

2: aluminum (III) chloride / dichloromethane / 6 h / 0 °C

With aluminum (III) chloride; potassium carbonate; potassium iodide; In dichloromethane; acetone;

DOI:10.1039/c7tc01425b

upstream raw materials:

1,2-dioctyloxybenzene

acetyl chloride

1-bromo-octane

benzene-1,2-diol

Downstream raw materials:

3,4-Bis-octyloxy-benzoic acid ethyl ester

3,4-bis(octyloxy)benzoic acid

Refernces

• 1、 Chen, Ya-Wen,Lin, Yen-Chun,Kuo, Hsiu-Ming,Lai, Chung K.. "Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates". . p. 5465 - 5477. Retrieved 2017/07/10.
• 2、 Strzelecka, H.,Jallabert, C.,Veber, M.,Davidson, P.,Levelut, A. M.. "NOUVEAUX SCRISTAUX LIQUIDES COLONNAIRES : CATIONS HETEROAROMATIQUES AVEC SIX CHAINES ALCOXY". . p. 395 - 402. Retrieved 2007/10/02.