7,16-Bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Base Information

• Chemical Name: 7,16-Bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
• CAS No.: 52601-78-2
• Molecular Formula: C26H38N2O8S2
• Molecular Weight: 570.728
• Hs Code.: 2934999090
• European Community (EC) Number: 651-296-9
• DSSTox Substance ID: DTXSID20385225
• Wikidata: Q82177873
• Mol file: 52601-78-2.mol

Synonyms:52601-78-2;7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;7,16-Bis-(toluene-4-sulfonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane;CBDivE_001502;SCHEMBL11122313;DTXSID20385225;STPBMUYYGGLOOD-UHFFFAOYSA-N;AKOS000519546;FT-0621329;AF-962/32159049;SR-01000390264;SR-01000390264-1

Chemical Property of 7,16-Bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Chemical Property:

• Vapor Pressure: 5.92E-21mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 726.4°C at 760 mmHg
• Flash Point: 393.1°C
• PSA: 128.44000
• Density: 1.207g/cm³
• LogP: 4.10240
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 570.20695852
• Heavy Atom Count: 38
• Complexity: 767

Purity/Quality:

99% ^*data from raw suppliers

7,16-BIS[(4-METHYLPHENYL)SULFONYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

Technology Process of 7,16-Bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

There total 17 articles about 7,16-Bis[(4-methylphenyl)sulfonyl]-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: 80.0%

1,2-bis-(2-bromo-ethoxy)-ethane (31255-10-4) + N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(4-methylbenzenesulfonamide) (59945-35-6) → 7,16-bis(p-tolylsulphonyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane (52601-78-2)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In toluene; for 10h; Heating;

DOI:10.1055/s-1984-30755

Reference yield: 77.0%

toluene-4-sulfonamide (70-55-3) + triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 7,16-bis(p-tolylsulphonyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane (52601-78-2)

Guidance literature:

With tetrabutyl-ammonium chloride; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

Reference yield: 76.0%

N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(4-methylbenzenesulfonamide) (59945-35-6) + triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 7,16-bis(p-tolylsulphonyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane (52601-78-2)

Guidance literature:

With tetrabutyl-ammonium chloride; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

upstream raw materials:

1,2-bis-(2-bromo-ethoxy)-ethane

N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(4-methylbenzenesulfonamide)

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

sodium p-toluenesulfonamide

Downstream raw materials:

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