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

Base Information

• Chemical Name: 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane
• CAS No.: 23978-55-4
• Deprecated CAS: 97760-34-4
• Molecular Formula: C12H26 N2 O4
• Molecular Weight: 262.349
• Hs Code.: 2932.99
• European Community (EC) Number: 245-965-0
• NSC Number: 339325
• UNII: XLY51T1RSZ
• DSSTox Substance ID: DTXSID20178699
• Nikkaji Number: J242.710I
• Wikidata: Q72507855
• ChEMBL ID: CHEMBL1812808
• Mol file: 23978-55-4.mol

Synonyms:1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane;cryptand 2.2;K22 diaza-crown ether;Kryptofix 22

Chemical Property of 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane

Chemical Property:

• Appearance/Colour: off-white shiny crystalline powder
• Vapor Pressure: 5.33E-07mmHg at 25°C
• Melting Point: 111 -114
• Refractive Index: 1.4560 (estimate)
• Boiling Point: 412.1°Cat760mmHg
• PKA: 9.00±0.20(Predicted)
• Flash Point: 170.6°
• PSA: 60.98000
• Density: 0.952g/cm³
• LogP: -0.09680
• Storage Temp.: 0-6°C
• Water Solubility.: Soluble in water.
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 262.18925731
• Heavy Atom Count: 18
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCOCCNCCOCCOCCN1
• General Description: 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, also known as diaza-18-crown-6 or Kryptofix 22, is a diaza-crown ether macrocycle that can form complexes with metal ions, particularly alkali metals, facilitating its synthesis and structural stabilization. It has been utilized in the preparation of artificial nucleases, such as copper and zinc complexes, which exhibit efficient catalytic activity for DNA cleavage under optimal conditions. 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane's cyclic structure, featuring nitrogen and oxygen donor atoms, enables selective binding and reactivity with metal ions, making it valuable in coordination chemistry and biochemical applications.

Technology Process of 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane

There total 36 articles about 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane 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: 95.0%

N,N'-dibenzyl-4,13-diaza-18-crown-6 (69703-25-9) → 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4)

Guidance literature:

With ammonia; sodium; In tetrahydrofuran; for 2h;

Reference yield: 94.0%

7,16-bis(p-tolylsulphonyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane (52601-78-2) → 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h; Heating;

Reference yield: 75.0%

1,10-diaza-4,7,13,16-tetraoxacyclooctadeca-2,9-dione (23978-54-3) → 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;

DOI:10.1039/c39910000956

upstream raw materials:

3,6-dioxa-1,8-diaminooctane

1,2-bis-(2-iodoethoxy)ethane

1,10-diaza-4,7,13,16-tetraoxacyclooctadeca-2,9-dione

N,N'-dibenzyl-4,13-diaza-18-crown-6

Downstream raw materials:

N,N'-bis(carboxymethyl)-4,13-diaza-18-crown-6

7,16-bis(2-hydroxy-5-methoxybenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

1-chloro-4-(4,7,13,16-tetraoxa-1,10-diazacyclooctadecyl)benzene

N,N'-bis(11-benzyloxycarbonylundecyl)-4,13-diaza-18-crown-6