Dibenzo-30-crown-10

Base Information

• Chemical Name: Dibenzo-30-crown-10
• CAS No.: 17455-25-3
• Molecular Formula: C28H40O10
• Molecular Weight: 536.61
• Hs Code.: 29329985
• European Community (EC) Number: 679-967-1
• DSSTox Substance ID: DTXSID30169851
• Nikkaji Number: J503.963K
• Wikidata: Q83039633
• ChEMBL ID: CHEMBL155600
• Mol file: 17455-25-3.mol

Synonyms:5,5-Dibenzo-30-crown-10;Bis(o-phenylene)[3,4]crown-10;Dibenzo-30-C-10;Dibenzo-30-crown-10 ether;6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine;Dibenzo(b,q)(1,4,7,10,13,16,19,22,25,28)decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-;

Chemical Property of Dibenzo-30-crown-10

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 4.08E-17mmHg at 25°C
• Melting Point: 106-108 °C(lit.)
• Refractive Index: 1.465
• Boiling Point: 671 °C at 760 mmHg
• Flash Point: 259 °C
• PSA: 92.30000
• Density: 1.068 g/cm³
• LogP: 3.01520
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 536.26214747
• Heavy Atom Count: 38
• Complexity: 450

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dibenzo-30-crown-10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOCCOC3=CC=CC=C3OCCOCCO1
• Uses: Dibenzo-30-Crown-10 (cas# 17455-25-3) is a useful building block for macromolecules, and has been used in the preparation of rotaxanes and organogels. Dibenzo-30-Crown-10 has also been used in the preparation of mesoporous adsorbents for cesium from wastewater.

Technology Process of Dibenzo-30-crown-10

There total 25 articles about Dibenzo-30-crown-10 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: 86.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + C36H50O14S2 (448236-29-1) → [2,17]dibenzo-30-crown-10 (17455-25-3)

Guidance literature:

With potassium hexafluorophosphate; potassium carbonate; In acetonitrile; for 96h; Inert atmosphere; Reflux; Darkness;

DOI:10.1016/j.tet.2015.11.055

Reference yield: 25.0%

tetraethylene glycol di(p-toluenesulfonate) (37860-51-8) + 2,2'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy)diphenol (68822-98-0) → [2,17]dibenzo-30-crown-10 (17455-25-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 45 - 55 ℃;

Reference yield:

2,2'bisphenol-dibenzylether (87117-73-5) → [2,17]dibenzo-30-crown-10 (17455-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / H₂ / 10percent palladium on carbon / methanol; CH₂Cl₂

2: 25 percent / sodium hydride / tetrahydrofuran / 1 h, r.t. then 16 h, 45 deg C

With hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

tetraethylene glycol di(p-toluenesulfonate)

2,2'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy)diphenol

Tetraethylene glycol

O-benzylcatechol

Downstream raw materials:

C₂₈H₄₀O₁₀*C₃₈H₂₂B₂F₁₂N₂O₄

Refernces

COMPLEXATION OF DIQUAT BY DISUBSTITUTED DIBENZO-30-CROWN-10 DERIVATIVES

10.1016/S0040-4039(00)98584-8

The research aimed to investigate the complexation of diquat by disubstituted dibenzo-30-crown-10 derivatives. The purpose was to understand the stability and binding mechanisms of 1:1 crystalline complexes formed between diquat bishexafluorophosphate, [Diquat][PF6]2, and two specific derivatives: the bisformyl dibenzo-30-crown-10 derivative (2) and the dimethyl dibenzo-30-crown-10 derivative (4). The study utilized X-ray structural investigations to reveal that charge transfer, electrostatic binding, and weak C-H...O hydrogen bonding contribute to the complexes' remarkable stabilities. The chemicals used in the process included diquat bishexafluorophosphate, the bisformyl and dimethyl derivatives of dibenzo-30-crown-10, and various solvents such as acetone, CH3CN, CH3OH, and CH3COCH3. The conclusions drawn from the study were that the stability constants for the 1:1 complexes involving the derivatives 2, 3, and 4 were 2100, 50000, and 48000 dm3 mol-1, respectively, indicating a strong binding affinity. The research also suggested that the presence of electron-donating or withdrawing groups at the 2 and 20 positions of the catechol rings influenced the complexes' stabilities, with electron-donating groups enhancing the r-donor capabilities of the catechol rings towards the electron-deficient bipyridinium dication.

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