4',4''(5'')-Di-tert-butyldibenzo-18-crown-6
- Product Name
- 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;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;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
- Formula Weight
- 472.61
- MOL File
- 29471-17-8.mol
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Property
- Melting point:
- 112-116 °C
- Boiling point:
- 533.38°C (rough estimate)
- Density
- 1.0542 (rough estimate)
- refractive index
- 1.6000 (estimate)
- 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)
Safety
- 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
- Yes
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29329990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 396443
- Product name
- 4′,4′′(5′′)-Di-tert-butyldibenzo-18-crown-6
- Purity
- 95%
- Packaging
- 1G
- Price
- $67.4
- Updated
- 2022/05/15
- Product number
- D429460
- Product name
- 4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6
- Packaging
- 250mg
- Price
- $40
- Updated
- 2021/12/16
- Product number
- JK356879
- Product name
- 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,98%,mixtureofisomers
- Packaging
- 1g
- Price
- $86
- Updated
- 2021/12/16
- Product number
- CHM0011190
- Product name
- 4',4"(5")-DI-TERT-BUTYLDIBENZO-18-CROWN-6
- Purity
- 95.00%
- Packaging
- 250MG
- Price
- $568.79
- Updated
- 2021/12/16
- Product number
- CHM0011190
- Product name
- 4',4"(5")-DI-TERT-BUTYLDIBENZO-18-CROWN-6
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $668.23
- Updated
- 2021/12/16
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Chemical Properties,Usage,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
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