ChemicalBook > CAS DataBase List > 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

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;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;4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,94%
CBNumber
CB7722219
Molecular Formula
C28H40O6
Formula Weight
472.61
MOL File
29471-17-8.mol
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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)
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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
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
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
TRC
Product number
D429460
Product name
4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6
Packaging
250mg
Price
$40
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
JK356879
Product name
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,98%,mixtureofisomers
Packaging
1g
Price
$86
Updated
2021/12/16
American Custom Chemicals Corporation
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
American Custom Chemicals Corporation
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
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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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4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Suppliers

Alfa Aesar
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021-67582001/03/05
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saleschina@alfa-asia.com
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China
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021-54306202 13764082696
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Nanjing King-pharm Co.,LTD.
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025-58748998 19951791336
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Suzhou yacoo science co.,Ltd
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Sigma-Aldrich
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orderCN@merckgroup.com
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Suzhou Rovathin Foreign Trade Co.,Ltd
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Hefei TNJ Chemical Industry Co.,Ltd.
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29471-17-8, 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6Related Search:


  • 4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6
  • AR,AR'-DI-TERT-BUTYLDIBENZO-18-CROWN-6
  • 14)-bis(1,1-dimethylethyl)-ro-13(or2
  • 4',4''(5'')-di-tert-butyldibenzo-18-crown-6, mixed isomers
  • 4',4pi(5pi)-Di-tert-butyldibenzo-18-crown-6
  • 4,4'-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, mixed iso
  • 4,45-Di-tert.-butylbenzo-18-crown-6, mixture of isomers
  • 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 95%
  • 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6, 98%, mixture of isomers
  • Bis(tert-butylbenzo)-18-crown-6
  • 4prime,4primeprime(5primeprime)-Di-tert-butyldibenzo-18-crown-6
  • Di-(tert-butylbenzo)-18-crown-6
  • 4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6
  • 4,4'(5')-DI-T-BUTYLDIBENZO-18-CROWN-6
  • 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 95%
  • 29471-17-8
  • C28H40O6
  • Synthetic Reagents
  • Crown Ethers
  • Chelation/Complexation Compounds
  • Crown Ethers
  • Chelation/Complexation Compounds
  • Synthetic Reagents