Kryptand 222B

Base Information

• Chemical Name: Kryptand 222B
• CAS No.: 31250-18-7
• Molecular Formula: C22H36 N2 O6
• Molecular Weight: 424.538
• European Community (EC) Number: 250-532-4
• DSSTox Substance ID: DTXSID20185181
• Nikkaji Number: J342.527D
• Wikidata: Q83056176
• Mol file: 31250-18-7.mol

Synonyms:Kryptand 222B;31250-18-7;5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene;EINECS 250-532-4;4,11,17,20,25,28-hexaoxa-1,14-diazatricyclo[12.8.8.05,10]triaconta-5,7,9-triene;2,3,5,6,8,9,11,12,14,15-Decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine;4,13-(Ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine, 2,3,5,6,8,9,11,12,14,15-decahydro-;Kryptofix 222-b;Cryptand 222B;SCHEMBL1637761;DTXSID20185181;C22H36N2O6;AKOS015916275;FT-0638959;J-018296;5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo(8.8.8)hexacosane, 5,6-

Chemical Property of Kryptand 222B

Chemical Property:

• Vapor Pressure: 1.82E-12mmHg at 25°C
• Refractive Index: n20/D 1.516
• Boiling Point: 557.6°Cat760mmHg
• PKA: 7.11±0.20(Predicted)
• Flash Point: 153.3°C
• PSA: 61.86000
• Density: 1.17g/cm³
• LogP: 1.01760
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 424.25733687
• Heavy Atom Count: 30
• Complexity: 372

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,Xi
• Statements: 11-20-36/37/38-67-65-48/20-38-63
• Safety Statements: 16-25-26-29-36/37/39-62-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCN2CCOCCOCCN1CCOC3=CC=CC=C3OCC2
• 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.

Technology Process of Kryptand 222B

There total 18 articles about Kryptand 222B which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

5,6-benzo-4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-2,9-dione (31250-17-6) → cryptand 222B (31250-18-7)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.1c01274

Reference yield: 80.0%

→ cryptand 222B (31250-18-7)

Guidance literature:

Reference yield: 71.0%

C24H42N2O6(2+)*2I(1-) (106240-31-7) → cryptand 222B (31250-18-7)

Guidance literature:

With triphenylphosphine; In N,N-dimethyl-formamide; for 5h; Heating;

upstream raw materials:

C₂₄H₄₂N₂O₆⁽²⁺⁾*2I^(1-)

C₂₂H₃₆N₂O₆*Ca⁽²⁺⁾

kryptofix 221

N,N-dimethyl-1,7,10,16-tetraoxa-4,13-diaza-(16)orthocyclophan

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