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

Base Information

• Chemical Name: 7,16-Didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
• CAS No.: 79495-97-9
• Molecular Formula: C32H66 N2 O4
• Molecular Weight: 542.887
• Hs Code.: 2934 99 90
• European Community (EC) Number: 279-168-4
• NSC Number: 339326
• DSSTox Substance ID: DTXSID101000543
• Nikkaji Number: J151.280C
• ChEMBL ID: CHEMBL1885028
• Mol file: 79495-97-9.mol

Synonyms:7,16-Didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;79495-97-9;Kryptofix 22dd;Kryptofix 22 DD;EINECS 279-168-4;NSC 339326;1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-didecyl-;SCHEMBL9159779;CHEMBL1885028;C32H66N2O4;DTXSID101000543;NSC339326;AKOS015913406;C32-H66-N2-O4;NSC-339326;NCGC00166067-01;7,16-Didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane #;7,16-Didecyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane, >=98.0%

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

Chemical Property:

• Vapor Pressure: 5.15E-15mmHg at 25°C
• Melting Point: 38-41 °C
• Boiling Point: 614.1°C at 760 mmHg
• Flash Point: 140.6°C
• PSA: 43.40000
• Density: 0.897g/cm³
• LogP: 6.82760
• Storage Temp.: Store below +30°C.
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 18
• Exact Mass: 542.50225859
• Heavy Atom Count: 38
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Kryptofix 22 DDKryptofix 22 DD for synthesis. CAS 79495-97-9, molar mass 542.88 g/mol., for synthesis ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCC

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

There total 5 articles about 7,16-Didecyl-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: 96.0%

N,N’-didecanoyl-4,13-diaza-18-crown-6 (105400-04-2) → 4,13-didecyl-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane (79495-97-9)

Guidance literature:

With borane-THF; for 24h; Heating;

DOI:10.1021/jo00376a059

Reference yield: 92.0%

1-bromo dodecane (112-29-8) + 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4) → 4,13-didecyl-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane (79495-97-9)

Guidance literature:

With potassium carbonate; In acetonitrile; for 24h; Heating;

DOI:10.1016/S0040-4020(00)00248-9

Reference yield:

caprinaldehyde (112-31-2) + 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (23978-55-4) → 4,13-didecyl-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane (79495-97-9)

Guidance literature:

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1039/d0ra08494h

upstream raw materials:

N,N’-didecanoyl-4,13-diaza-18-crown-6

1-bromo dodecane

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

n-decanoyl chloride

Refernces

• 1、 Patel, Mohit B.,Negin, Saeedeh,Stavri, Ariel,Gokel, George W.. "Supramolecular cation transporters alter root morphology in the Arabidopsis thaliana plant". . p. 183 - 191. Retrieved 2017/10/05.
• 2、 Elshani, Sadik,Kobzar, Evgeny,Bartsch, Richard A.. "Macrocyclic ligands with partially fluorinated sidearms: Synthesis and metal ion complexation". . p. 3291 - 3301. Retrieved 2007/10/03.