1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane

Base Information

• Chemical Name: 1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane
• CAS No.: 87338-11-2
• Molecular Formula: C34H54N2O4S2
• Molecular Weight: 618.946
• DSSTox Substance ID: DTXSID10507792

Synonyms:87338-11-2;DTXSID10507792;1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane

Chemical Property of 1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane

Chemical Property:

• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 618.35250056
• Heavy Atom Count: 42
• Complexity: 812

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCCN(CCCCCCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Technology Process of 1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane

There total 4 articles about 1,12-Bis(4-methylbenzene-1-sulfonyl)-1,12-diazacyclodocosane 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: 76.0%

N1,N10-di(p-toluenesulfonyl)-1,10-diamidecane (79130-37-3) + 1,10-dibromodecane (4101-68-2) → 1,12-bis(p-tolylsulfonyl)-1,12-diazacyclodocosane (87338-11-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 24h; Ambient temperature;

DOI:10.1021/jo00175a022

Reference yield: 55.0%

N-(10-Bromodecyl)-p-toluolsulfonsaeure-amid (79130-36-2) → 1-(Toluene-4-sulfonyl)-azacycloundecane (79130-42-0) + 1,12-bis(p-tolylsulfonyl)-1,12-diazacyclodocosane (87338-11-2)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In water; benzene; Heating;

DOI:10.1055/s-1981-29480

Reference yield: 43.0%

toluene-4-sulfonamide (70-55-3) + 1,10-dibromodecane (4101-68-2) → 1-(Toluene-4-sulfonyl)-azacycloundecane (79130-42-0) + 1,12-bis(p-tolylsulfonyl)-1,12-diazacyclodocosane (87338-11-2)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In water; benzene; for 24h; Heating;

DOI:10.1055/s-1981-29480

upstream raw materials:

N-(10-Bromodecyl)-p-toluolsulfonsaeure-amid

toluene-4-sulfonamide

1,10-dibromodecane

N¹,N¹⁰-di(p-toluenesulfonyl)-1,10-diamidecane

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