Benzoylbenzo-15-crown-5

Base Information

• Chemical Name: Benzoylbenzo-15-crown-5
• CAS No.: 87251-56-7
• Molecular Formula: C21H24O6
• Molecular Weight: 372.4117
• DSSTox Substance ID: DTXSID10236237
• Wikidata: Q83118177
• ChEMBL ID: CHEMBL1465352
• Mol file: 87251-56-7.mol

Synonyms:Benzoylbenzo-15-crown-5;BRN 3597945;87251-56-7;Methanone, (2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)phenyl-;MLS001049185;CHEMBL1465352;DTXSID10236237;HMS2789K13;STK526004;AKOS005459322;NCGC00246408-01;LS-91320;SMR000427834;(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-yl)-phenyl-methano ne;2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)methanone

Chemical Property of Benzoylbenzo-15-crown-5

Chemical Property:

• Vapor Pressure: 6.23E-12mmHg at 25°C
• Boiling Point: 544.9°Cat760mmHg
• Flash Point: 238.2°C
• PSA: 63.22000
• Density: 1.131g/cm³
• LogP: 2.73860
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 372.15728848
• Heavy Atom Count: 27
• Complexity: 423

Purity/Quality:

BENZOYLBENZO-15-CROWN-5 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoylbenzo-15-crown-5

There total 2 articles about Benzoylbenzo-15-crown-5 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: 52.0%

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin (14098-44-3) + benzoic acid (65-85-0,8013-63-6) → 3,4-(1,4,7,10,13-pentaoxatridecamethylene)benzophenone (87251-56-7)

Guidance literature:

With methanesulfonic acid; phosphorus pentoxide; for 4h; Ambient temperature;

Reference yield:

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin (14098-44-3) + benzoic acid anhydride (93-97-0) → 3,4-(1,4,7,10,13-pentaoxatridecamethylene)benzophenone (87251-56-7)

Guidance literature:

With PPA; at 60 - 80 ℃; for 2.5h;

DOI:10.1007/BF00764470

Reference yield: 85.0%

3,4-(1,4,7,10,13-pentaoxatridecamethylene)benzophenone (87251-56-7) → 4-(α-Hydrazonobenzyl)benzo<15>krone-5

Guidance literature:

With hydrazine hydrate; In ethanol; for 96h; Heating;

upstream raw materials:

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

benzoic acid anhydride

benzoic acid