Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-

Base Information

• Chemical Name: Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-
• CAS No.: 79997-19-6
• Molecular Formula: C22H26 O6
• Molecular Weight: 386.44
• DSSTox Substance ID: DTXSID70229988
• Wikidata: Q83110371
• Mol file: 79997-19-6.mol

Synonyms:Phenylacetylbenzo-15-crown-5;BRN 3573073;79997-19-6;Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-;DTXSID70229988;STK525641;AKOS005459588;LS-67561;1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenylethanone

Chemical Property of Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-

Chemical Property:

• Vapor Pressure: 4.93E-13mmHg at 25°C
• Boiling Point: 570.6°C at 760 mmHg
• Flash Point: 248.4°C
• PSA: 63.22000
• Density: 1.125g/cm³
• LogP: 2.93300
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 386.17293854
• Heavy Atom Count: 28
• Complexity: 437

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOC2=C(C=C(C=C2)C(=O)CC3=CC=CC=C3)OCCOCCO1

Technology Process of Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-

There total 1 articles about Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl- 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: 42.0%

phenylacetic acid (103-82-2) + 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin (14098-44-3) → 4'-(2-phenyl-1-oxoethyl)benzo-15-crown-5 (79997-19-6)

Guidance literature:

With PPA; at 70 ℃; for 5h;

DOI:10.1246/bcsj.54.2708

Reference yield: 75.0%

4'-(2-phenyl-1-oxoethyl)benzo-15-crown-5 (79997-19-6) → 4'-(2-phenyl-1,2-dioxoethyl)benzo-15-crown-5 (74357-36-1)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; water; for 15h; Heating;

DOI:10.1246/bcsj.54.2708

upstream raw materials:

phenylacetic acid

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

Downstream raw materials:

4'-(2-phenyl-1,2-dioxoethyl)benzo-15-crown-5