Pyridinophane cryptand

Base Information

• Chemical Name: Pyridinophane cryptand
• CAS No.: 61696-67-1
• Molecular Formula: C₁₉H₂₇N₃O₆
• Molecular Weight: 393.44
• DSSTox Substance ID: DTXSID90210691
• Wikidata: Q83085457
• Mol file: 61696-67-1.mol

Synonyms:1,12-dioxo-2,11-diaza-5,8,21,24-tetraoxa(12.8)(2,6)pyridinophane;pyridinophane cryptand

Chemical Property of Pyridinophane cryptand

Chemical Property:

• Vapor Pressure: 3.34E-17mmHg at 25°C
• Boiling Point: 658.3°C at 760 mmHg
• Flash Point: 351.9°C
• PSA: 90.43000
• Density: 1.28g/cm³
• LogP: -0.06460
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 393.18998559
• Heavy Atom Count: 28
• Complexity: 444

Purity/Quality:

4,7,13,16-TETRAOXA-1,10,26-TRIAZATRICYCLO[8.8.7.120,24]EXACOSA-20,22,24(26)-TRIENE-19,25-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCN2CCOCCOCCN1C(=O)C3=NC(=CC=C3)C2=O

Technology Process of Pyridinophane cryptand

There total 2 articles about Pyridinophane cryptand 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:

Pyridine-2,6-dicarboxylic acid (499-83-2) + 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4) → 4,7,13,16-tetraoxa-1,10-diaza-20(2,6)-pyridina-bicyclo[8.8.3]heneicosaphane-19,21-dione (61696-67-1)

Guidance literature:

In benzene;

DOI:10.1021/ja00456a026

Reference yield:

2,6-Pyridinedicarbonyl dichloride (3739-94-4) + 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4) → 4,7,13,16-tetraoxa-1,10-diaza-20(2,6)-pyridina-bicyclo[8.8.3]heneicosaphane-19,21-dione (61696-67-1)

Guidance literature:

DOI:10.1016/S0040-4039(00)91745-3

upstream raw materials:

2,6-Pyridinedicarbonyl dichloride

1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Pyridine-2,6-dicarboxylic acid

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