4',4''(5'')-Di-tert-butyldibenzo-18-crown-6
- CAS No.
- 29471-17-8
- Chemical Name:
- 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6
- Synonyms
- Di-(tert-butylbenzo)-18-crown-6;Bis(tert-butylbenzo)-18-crown-6;4,4'-Di-tert-butyldibenzo-18-crown-6;14)-bis(1,1-dimethylethyl)-ro-13(or2;4,4'(5')-DI-T-BUTYLDIBENZO-18-CROWN-6;AR,AR'-DI-TERT-BUTYLDIBENZO-18-CROWN-6;4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6;4',4pi(5pi)-Di-tert-butyldibenzo-18-crown-6;4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,94%;4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 95%
- CBNumber:
- CB7722219
- Molecular Formula:
- C28H40O6
- Molecular Weight:
- 472.61
- MDL Number:
- MFCD00068541
- MOL File:
- 29471-17-8.mol
- MSDS File:
- SDS
| Melting point | 112-116 °C |
|---|---|
| Boiling point | 533.38°C (rough estimate) |
| Density | 1.0542 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| form | powder |
| BRN | 1667522 |
| InChI | InChI=1S/C28H40O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3 |
| InChIKey | CVQLBTRJDFZYMS-UHFFFAOYSA-N |
| SMILES | C12OCCOCCOC3=C(C=CC(C(C)(C)C)=C3)OCCOCCOC=1C=CC(C(C)(C)C)=C2 |
| EPA Substance Registry System | Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro- (29471-17-8) |
| UNSPSC Code | 12350000 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38-36/38-22 | |||||||||
| Safety Statements | 26-36-36/37 | |||||||||
| RIDADR | 2811 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | HP5386500 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29329990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 396443 | 4′,4′′(5′′)-Di-tert-butyldibenzo-18-crown-6 95% | 29471-17-8 | 1G | $67.4 | 2022-05-15 | Buy |
| ChemScene | CS-0186014 | 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 ≥98% | 29471-17-8 | 5g | $238 | 2026-06-04 | Buy |
| aablocks | AA002YF8 | 4′，4′′(5′′)-Di-tert-butyldibenzo-18-crown-6 98% | 29471-17-8 | 250mg | $57 | 2026-05-28 | Buy |
| aablocks | AA002YF8 | 4′，4′′(5′′)-Di-tert-butyldibenzo-18-crown-6 98% | 29471-17-8 | 1g | $129 | 2026-05-28 | Buy |
| TRC | D429460 | 4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 | 29471-17-8 | 250mg | $40 | 2021-12-16 | Buy |
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Chemical Properties, Uses, Production
Description
4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound. This crown ether is potentially useful in studies of ion transport through non-polar regions and membranes, and has been described in the design of microsensor devices for ammonia determination based upon ammonia-mediated deprotonation of a pH indicator followed by sequestering of ammonium within the 4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 sphere.
Chemical Properties
Off-white powder
Uses
4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound..
Synthesis
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 (DTBB18C6) was synthesized using 4-tert-butyl catechol (TBC) as starting material, 2,2′-diethylene glycol di(p-touenesulfonate) as cyclization reagent, Cs2CO3 as template, and tetrahydrofuran (THF) as solvent. The reaction was carried out in a sealed environment with nitrogen, and Cs2CO3 was supplemented in three steps. Moreover, it could also be synthesized by improving the electrophilic aromatic substitution of dibenzo-18-crown-6 (DB18C6) using tert-butyl alcohol (TBA) as alkylation reagent, H3PO4 (85 wt %) as catalyst and CH2Cl2 as solvent[1-2].
References
[1] Juan Fan. “Preparation of 4′,4′′(5′′)-Di-tert-butyldibenzo-18-crown-6 Based on Electrophilic Aromatic Substitution.” Chemistry Letters 41 1 (2012): 274–276.
[1] Jun Fan. “Optimization of Synthetic Strategy of 4′4″(5″)-Di-tert-butyldibenzo-18-crown-6 Using Response Surface Methodology.” Organic Process Research & Development 17 3 (2013): 368–374.
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Preparation Products And Raw materials
Raw materials
Preparation Products
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
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| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
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| T&W GROUP | 021-61551611 13296011611 | contact@trustwe.com | China | 9884 | 58 |
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| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +86-189 4982 3763 | sales@tnjchem.com | China | 34526 | 58 |
