4'-Formylbenzo-18-crown 6-Ether

Base Information

• Chemical Name: 4'-Formylbenzo-18-crown 6-Ether
• CAS No.: 60835-74-7
• Molecular Formula: C17H24O7
• Molecular Weight: 340.373
• European Community (EC) Number: 672-675-5
• DSSTox Substance ID: DTXSID30492136
• Nikkaji Number: J1.014.391H
• Wikidata: Q82337760
• Mol file: 60835-74-7.mol

Synonyms:4'-Formylbenzo-18-crown 6-Ether;60835-74-7;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde;2,3-(4-Formylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene;2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine-18-carbaldehyde;4-FORMYLBENZO-18-CROWN 6-ETHER;YSZC1550;SCHEMBL14777264;DTXSID30492136;4'-formylbenzo-18-crown-6 ether;MFCD00388882;CS-0170052;F0451;T72696;2,3,5,6,8,9,11,12,14,15-DECAHYDRO-1,4,7,10,13,16-BENZOHEXAOXACYCLOOCTADECINE-18-CARBALDEHYDE

Chemical Property of 4'-Formylbenzo-18-crown 6-Ether

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 59-61 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.479
• Boiling Point: 506.426 °C at 760 mmHg
• Flash Point: 223.138 °C
• PSA: 72.45000
• Density: 1.109 g/cm³
• LogP: 1.33670
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 340.15220310
• Heavy Atom Count: 24
• Complexity: 326

Purity/Quality:

98% ^*data from raw suppliers

4'-Formylbenzo-18-crown 6-Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1

Technology Process of 4'-Formylbenzo-18-crown 6-Ether

There total 2 articles about 4'-Formylbenzo-18-crown 6-Ether 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:

18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]Hexaoxacyclotetradecene (75460-28-5) → 4'-formyl-benzo-18-crown-6-ether (60835-74-7) + 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin (14098-24-9)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1) Et₂O, THF, hexane, -60 deg C, 4.0 h; 2) DMF, Et₂O, THF, hexane, -60 deg C, 1.2 h;

DOI:10.1007/BF00696971

Reference yield:

18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]Hexaoxacyclotetradecene (75460-28-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4'-formyl-benzo-18-crown-6-ether (60835-74-7) + 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin (14098-24-9)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1) Et₂O, THF, hexane, -60 deg C, 4.0 h; 2) Et₂O, THF, hexane, -60 deg C, 1.2 h;

DOI:10.1007/BF00696971

Reference yield: 93.0%

4'-formyl-benzo-18-crown-6-ether (60835-74-7) + recorcinol (108-46-3) → 2,8,14,20-Tetra(1,4,7,10,13,16-hexaoxabenzo[b]cyclooctadecan-18-yl)pentacyclo[19.3.1.13,7.19,13.115,19]tetracosa-1(25),2,4,7(26),8,10,13(27),14,16,19(28),20,22-dodecaene-4,6,10,12,16,18,22,24-octol

Guidance literature:

With hydrogenchloride; In ethanol; at 75 ℃; for 10h;

DOI:10.1002/1521-3765(20010817)7:16<3474::AID-CHEM3474>3.0.CO;2-6

upstream raw materials:

18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]Hexaoxacyclotetradecene

N,N-dimethyl-formamide

Downstream raw materials:

C₃₅H₃₆N₂O₈S₂

N-[1-(6,7,9,10,12,13,15,16,18,19-Decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecen-2-yl)-meth-(E)-ylidene]-N'-(2,4-dinitro-6-trifluoromethyl-phenyl)-hydrazine

3-[2-(2-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-4-methylamino-benzaldehyde

2-((E)-2-{4-[(E)-2-(3,4,5-Tris-dodecyloxy-phenyl)-vinyl]-phenyl}-vinyl)-6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecene

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