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ChemicalBook >> CAS DataBase List >>5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Structure
5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE structure
CAS No.
31250-18-7
Chemical Name:
5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE
Synonyms
Kryptofix22B;KRYPTAND 222B;Cryptand 222B;Cryptand 2B22;Kryptofix? 222B;Benzocryptate 2B22;Benzo[2.2.2]cryptand;Monobenzo-222-cryptand;KRYPTOFIX 222 B POLYMER;Monobenzocryptate K[2B.2.2]
CBNumber:
CB7312265
Molecular Formula:
C22H36N2O6
Molecular Weight:
424.53
MDL Number:
MFCD00013324
MOL File:
31250-18-7.mol
MSDS File:
SDS
Last updated:2024-04-17 14:06:58
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5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Properties

Boiling point 557.6±50.0 °C(Predicted)
Density 0.995 g/mL at 25 °C
refractive index n20/D 1.516
Flash point 40 °F
pka 7.11±0.20(Predicted)
BRN 586455

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS08
Signal word  Warning
Hazard statements  H315-H319-H335-H336-H361d-H373-H412
Precautionary statements  P201-P202-P273-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  F,Xn,Xi
Risk Statements  11-20-36/37/38-67-65-48/20-38-63
Safety Statements  16-25-26-29-36/37/39-62-36/37
RIDADR  UN 1993 3/PG 2
WGK Germany  3

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE price More Price(4)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 308579 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution 50wt. % in toluene 31250-18-7 100mg $39.64 2024-03-01 Buy
SynQuest Laboratories 4656-1-G7 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene 31250-18-7 100mg $55 2021-12-16 Buy
Medical Isotopes, Inc. 1065 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution 31250-18-7 100mg $495 2021-12-16 Buy
American Custom Chemicals Corporation CHM0164900 5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE 98.00% 31250-18-7 5G $1863.02 2021-12-16 Buy
Product number Packaging Price Buy
308579 100mg $39.64 Buy
4656-1-G7 100mg $55 Buy
1065 100mg $495 Buy
CHM0164900 5G $1863.02 Buy

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Chemical Properties,Uses,Production

Uses

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene can be used as a model ligand:
In the metal-ligand complex formation studies to predict ligand coordination with metal ions (Eu & Gd) using magnetic resonance imaging (MRI) technique.
In the study of coordination environment as well as redox and electronic properties of its YbII complexes.

Reactions

[Eu(2.2.2B)Cl][BPh4]·2CH3OH. (2.2.2B = C22H36N2O6): In an argon atmosphere glovebox, 14.0 mg of EuCl2 was dissolved in 1.5 mL of distilled methanol in a 20 mL scintillation vial. Separately, 50.0 mg of [NBu4][BPh4] was dissolved in THF dropwise in a 6 mL scintillation vial. The [NBu4][BPh4] was carefully pipetted into the methanolic solution containing EuCl2 with stirring. 222 μL of a 0.1 M solution of 2.2.2B cryptand in THF was added to the reaction mixture which was briefly stirred before being allowed to sit overnight undisturbed. Colorless block crystals of [Eu(2.2.2B)Cl][BPh4]·2CH3OH formed overnight (Yield: 67.7%). Crystals were isolated via pipet and stored under immersion oil until single-crystal X-ray diffraction analysis could be performed. 1H NMR (CD3CN-d3): 7.30 (s, CH, 2H), 7.02 (s, CH, 2H), 6.87 (s, CH, 1H), 6.32 (s, broad), 3.67 (m, CH2O), 3.30 (s, CH3), 2.18 (s, OH, 1H), 1.83 (s, CH2) (Figure S3). PXRD analysis appears in the Supporting Information (SI) (Figure S5).
[Eu(2.2.2B)(CH3OH)][BPh4]2·CH3OH. Synthesis of [Eu(2.2.2B)(CH3OH)][BPh4]2·CH3OH was achieved as described for [Eu(2.2.2B)Cl][BPh4]·2CH3OH with the exception of the dissolution of the [NBu4][BPh4] solid in acetonitrile rather than THF. Combination of the two colorless solutions produced a yellow solution. Addition of 222 μL of 0.1 M 2.2.2B cryptand in THF yielded no distinguishable change, but colorless block crystals of [Eu(2.2.2B)(CH3OH)][BPh4]2·CH3OH formed overnight (Yield: 74.2%). These crystals were isolated and stored in the same fashion as [Eu(2.2.2B)Cl][BPh4]·2CH3OH. 1H NMR (CD3CN-d3): 7.30 (s, CH, 2H), 7.01 (s, CH, 2H), 6.86 (s, CH, 1H), 6.21 (s, broad), 3.66 (s, CH2O), 3.28 (s, CH3), 2.27 (s, OH, broad), 1.82 (s, CH2) (Figure S4). PXRD analysis appears in the SI (Figure S6).
A solution of 5,6-benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene (2.2.2B cryptand, 50% wt in toluene, Sigma-Aldrich) was prepared by first isolating the ligand in vacuo, and a 0.1 M stock solution of 2.2.2B cryptand in THF was prepared.
[1] TODD N. POE. Understanding the Stabilization and Tunability of Divalent Europium 2.2.2B Cryptates[J]. Inorganic Chemistry, 2021, 60 11: 7815-7826. DOI:10.1021/acs.inorgchem.1c00300.

Structure and conformation

1H NMR spectrum of [Eu(2.2.2B)Cl][BPh4] ? 2CH3OH
Figure S3. 1H NMR spectrum of [Eu(2.2.2B)Cl][BPh4] ? 2CH3OH. Major peaks that did not experience significant broadening are labelled.
1H NMR spectrum of [Eu(2.2.2B)(CH3OH)][BPh4]2 ? CH3OH.
Figure S4. 1H NMR spectrum of [Eu(2.2.2B)(CH3OH)][BPh4]2 ? CH3OH. The significant broadening of the methanol signal at 2.27 ppm is attributed to the coordination of methanol to the cryptate complex, unlike in [Eu(2.2.2B)Cl][BPh4] ? 2CH3OH.

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE synthesis

106240-31-7
31250-18-7
Synthesis of 5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE from 4,13-(Ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecinium, 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-dimethyl-, iodide (1:2)

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Preparation Products And Raw materials

Raw materials

Preparation Products

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Suppliers

Global( 20)Suppliers
Supplier Tel Email Country ProdList Advantage
Hefei TNJ Chemical Industry Co.,Ltd. 		0551-65418671 sales@tnjchem.com China 34572 58
Dayang Chem (Hangzhou) Co.,Ltd. 		571-88938639 +8617705817739 info@dycnchem.com CHINA 52867 58
GIHI CHEMICALS CO.,LIMITED 		+8618058761490 info@gihichemicals.com China 49999 58
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696; info@hanhongsci.com China 42982 64
Sigma-Aldrich 021-61415566 800-8193336 orderCN@merckgroup.com China 51471 80
Zhengzhou Acme Chemical Co., Ltd. 0371-0371-63315541 13323832564 3001332135@qq.com China 9100 58
Energy Chemical 021-58432009 400-005-6266 marketing@energy-chemical.com China 44941 58
Baoji Didu Pharmaceutical and Chemical Co., Ltd 029-61856358 15829046862 1035@dideu.com China 10011 58
Shanghai Aladdin Biochemical Technology Co.,Ltd. +86-18521732826 market@aladdin-e.com China 48617 58
Supplier Advantage
Hefei TNJ Chemical Industry Co.,Ltd. 		58
Dayang Chem (Hangzhou) Co.,Ltd. 		58
GIHI CHEMICALS CO.,LIMITED 		58
Shanghai Hanhong Scientific Co.,Ltd. 64
Sigma-Aldrich 80
Zhengzhou Acme Chemical Co., Ltd. 58
Energy Chemical 58
Baoji Didu Pharmaceutical and Chemical Co., Ltd 58
Shanghai Aladdin Biochemical Technology Co.,Ltd. 58

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Spectrum

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE(31250-18-7)1HNMR

31250-18-7(5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE)Related Search:

6-Ethyl-3-oxa-6-azaoctanol 1,2-Diethoxybenzene BIS(2-METHOXYETHYL)AMINE 1,8-Diamino-3,6-dioxaoctane BIS(2-ETHOXYETHYL)AMINE
Triethanolamine 2-[2-(Dimethylamino)ethoxy]ethanol 4,13-Diaza-18-crown 6-ether 2-(2-METHOXYPHENOXY)-N-METHYLETHYLAMINE 2-Ethoxyphenol
2-(2-Methoxyphenoxy)ethylamine 2-Phenoxyethylamine N-ETHYLDIETHANOLAMINE Kryptofix 222 1,8-BIS(METHYLAMINO)-3,6-DIOXAOCTANE, 98
CHEMBRDG-BB 9071974 CHEMBRDG-BB 9070636 CHEMBRDG-BB 5740188

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KRYPTOFIX(R) 222B, IN TOLUENE KRYPTAND 222B KRYPTOFIX 222 B POLYMER 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine 5,6-BENZO-HEXAOXA-1,10-DIAZABICYCLO-(8.8 .8)HEXACOS-5-ENE 5,6-BENZO-HEXAOXA-1,10-DIAZABICYCLO-(8.8 .8)HEXACOSANE, 50 WT. % IN TOLUENE KRYPTOFIX 222 B POLYMER FOR SYNTHESIS Kryptofix22B 5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE 5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene Solution 4,13-(Ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine, 2,3,5,6,8,9,11,12,14,15-decahydro- (Kryptofix 222B) (Kryptand 222B) Kryptand 222B, Kryptofix(R) 222B Benzo[2.2.2]cryptand Benzocryptate 2B22 Cryptand 222B Cryptand 2B22 Monobenzo-222-cryptand Monobenzocryptate K[2B.2.2] Kryptofix? 222B 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution 50 wt. % in toluene 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyetha... 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine 31250-18-7 C22H36N2O6 Synthetic Reagents Crown Ethers Chelation/Complexation Compounds FDG Chemicals