1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

Base Information

• Chemical Name: 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
• CAS No.: 132066-11-6
• Molecular Formula: C₃₅H₄₂N₄O₆S₃
• Molecular Weight: 710.94
• European Community (EC) Number: 651-281-7
• Mol file: 132066-11-6.mol

Synonyms:AKOS024427514;1-Phenyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane;1-PHENYL-4,7,10-TRIS-(TOLUENE-4-SULFONYL)-1,4,7,10-TETRAAZA-CYCLODODECANE;132066-11-6

Chemical Property of 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 710.22664859
• Heavy Atom Count: 48
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

Technology Process of 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

There total 4 articles about 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane 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: 64.0%

N,N-bis(tosyloxyethyl)-p-toluenesulfonamide (16695-22-0) + C24H27N3O4S2(2-)*2Na(1+) → 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (132066-11-6)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 8h;

Reference yield: 62.0%

N,N-bis(2-p-tolylsulfonyloxyethyl)aniline (3590-12-3) + N,N’,N”-tris(p-toluenesulfonyl)diethylenetriamine N,N-disodium salt (52601-80-6) → 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (132066-11-6)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1002/(SICI)1521-3773(20000317)39:6<1052::AID-ANIE1052>3.0.CO;2-5

Reference yield: 58.0%

2.2'-Phenylimino-diaethyl-dibenzolsulfonat (6259-80-9) + N,N’,N”-tris(p-toluenesulfonyl)diethylenetriamine N,N-disodium salt (52601-80-6) → 1-Phenyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (132066-11-6)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 4h;

upstream raw materials:

N,N-bis(tosyloxyethyl)-p-toluenesulfonamide

2.2'-Phenylimino-diaethyl-dibenzolsulfonat

N,N’,N”-tris(p-toluenesulfonyl)diethylenetriamine N,N-disodium salt

N,N-bis(2-p-tolylsulfonyloxyethyl)aniline

Downstream raw materials:

1-phenyl-1,4,7,10-tetraazacyclododecane