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
  • 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
  • CBNumber:CB7312265
  • Molecular Formula:C22H36N2O6
  • Formula Weight:424.53
  • MOL File:31250-18-7.mol
5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Property
  • 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)
  • form liquid
  • BRN 586455
  • UNSPSC Code 12352005
  • NACRES NA.22
Safety
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordWarning
  • Hazard statements H315-H319-H335-H336-H361d-H373-H412
  • Precautionary statements P201-P202-P273-P302+P352-P305+P351+P338-P308+P313
5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Price More Price(1)
  • Brand: Sigma-Aldrich(India)
  • Product number: 308579
  • Product name : 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution
  • Purity: 50?wt. % in toluene
  • Packaging: 100MG
  • Price: ₹4362.48
  • Updated: 2022/06/14
  • Buy: Buy

5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Chemical Properties,Usage,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 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
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5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENE Spectrum
31250-18-7, 5,6-BENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOS-5-ENERelated Search:
  • FDG Chemicals
  • 高端化学
  • Chelation/Complexation Compounds
  • Crown Ethers
  • Synthetic Reagents
  • C22H36N2O6
  • 5,6-苯并-4,7,13,16,21,24-六氧杂-1,10-二氮杂二环[8.8.8]二十六碳-5-烯 溶液
  • 5,6-苯并-4,7,13,16,21,24-六氧杂-1,10-二氮杂二环[8.8.8]二十六碳-5-烯
  • 穴醚222B
  • 31250-18-7
  • 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyetha...
  • 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution 50 wt. % in toluene
  • Kryptofix? 222B
  • Monobenzocryptate K[2B.2.2]
  • Monobenzo-222-cryptand
  • Cryptand 2B22
  • Cryptand 222B
  • Benzocryptate 2B22
  • Benzo[2.2.2]cryptand
  • Kryptand 222B, Kryptofix(R) 222B
  • (Kryptofix 222B) (Kryptand 222B)
  • 4,13-(Ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine, 2,3,5,6,8,9,11,12,14,15-decahydro-
  • 5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene Solution
  • 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
  • Kryptofix22B
  • KRYPTOFIX 222 B POLYMER FOR SYNTHESIS
  • 5,6-BENZO-HEXAOXA-1,10-DIAZABICYCLO-(8.8 .8)HEXACOSANE, 50 WT. % IN TOLUENE
  • 5,6-BENZO-HEXAOXA-1,10-DIAZABICYCLO-(8.8 .8)HEXACOS-5-ENE
  • 2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine
  • KRYPTOFIX 222 B POLYMER
  • KRYPTAND 222B
  • KRYPTOFIX(R) 222B, IN TOLUENE

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