1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-
• CAS No.: 35980-65-5
• Molecular Formula: C28H35N3O6S3
• Molecular Weight: 605.78900
• DSSTox Substance ID: DTXSID00470461
• Nikkaji Number: J1.656.335H
• Wikidata: Q82298559
• Mol file: 35980-65-5.mol

Synonyms:35980-65-5;1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-;DTXSID00470461;AKOS016034996

Chemical Property of 1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-

Chemical Property:

• PSA: 137.28000
• LogP: 6.44410
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 605.16879937
• Heavy Atom Count: 40
• Complexity: 1060

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Technology Process of 1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-

There total 7 articles about 1,4,7-Triazecine, decahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]- 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%

toluene-4-sulfonamide (70-55-3) + C35H42N2O10S4 (78668-23-2) → 1,4,7-tri(p-toluenesulfonyl)-1,4,7-triazacyclodecane (35980-65-5)

Guidance literature:

With potassium carbonate; In acetonitrile; for 144h; Heating;

DOI:10.1002/1099-0690(200111)2001:22<4233::AID-EJOC4233>3.0.CO;2-L

Reference yield: 75.0%

1,4,7-tritosyl-1,4,7-triazaheptane (56187-04-3) + 1,3-dibromo-propane (109-64-8) → 1,4,7-tri(p-toluenesulfonyl)-1,4,7-triazacyclodecane (35980-65-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 30 ℃; for 24h;

DOI:10.1021/jo00273a046

Reference yield: 72.0%

1,4,7-tritosyl-1,4,7-triazaheptane (56187-04-3) + propane-1,3-diol ditosylate (5469-66-9) → 1,4,7-tri(p-toluenesulfonyl)-1,4,7-triazacyclodecane (35980-65-5)

Guidance literature:

With sodium hydride; In various solvents; N,N-dimethyl-formamide; at 105 ℃; for 8h;

upstream raw materials:

1,4,7-tritosyl-1,4,7-triazaheptane

propane-1,3-diol ditosylate

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

N,N'-ditoluenesulfonyl-1,3-diaminopropane

Downstream raw materials:

1,4,7-triazacyclodecane