1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane

Base Information

Chemical Name:1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
CAS No.:112193-80-3
Molecular Formula:C36H44N4O6S3
Molecular Weight:724.95300
Hs Code.:2902900000
European Community (EC) Number:651-282-2
Nikkaji Number:J846.307G
ChEMBL ID:CHEMBL4963413
Mol file:112193-80-3.mol

Synonyms:1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane;112193-80-3;1-benzyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane;1-benzyl-4,7,10-tris[(4-methylphenyl)sulfonyl]-1,4,7,10-tetraazacyclododecane;SCHEMBL8036144;CHEMBL4963413;OZWGNPVYVRIYRI-UHFFFAOYSA-N;1-Benzyl-4,7,10-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane;CS1074;MFCD00188454;STK368175;1-Benzyl-4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane;AKOS001593019;CS-0441057;1,4,7-Tritosyl-10-benzyl-1,4,7,10-tetraazacyclododecane;1-BENZYL-4,7,10-TRIS(4-METHYLBENZENESULFONYL)-1,4,7,10-TETRAAZACYCLODODECANE;1-BENZYL-4,7,10-TRIS-(TOLUENE-4-SULFONYL)-1,4,7,10-TETRAAZA-CYCLODODECANE

Suppliers and Price of 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
1 g
$ 695.00

Matrix Scientific
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
1g
$ 414.00

Crysdot
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane 95+%
1g
$ 311.00

Crysdot
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane 95+%
5g
$ 1208.00

Chemenu
1-benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane 95%
5g
$ 1130.00

Chemenu
1-benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane 95%
1g
$ 291.00

Apolloscientific
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
1g
$ 586.00

Alichem
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
1g
$ 248.49

Alichem
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
5g
$ 1034.25

AK Scientific
1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane
1g
$ 608.00

Total 5 raw suppliers

Chemical Property of 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane

Chemical Property:

Melting Point:161-164 °C
Boiling Point:834.6±75.0 °C(Predicted)
PKA:6.62±0.20(Predicted)
PSA：140.52000
Density:1.280±0.06 g/cm3(Predicted)
LogP:7.49410
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:724.24229866
Heavy Atom Count:49
Complexity:1260

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane ^*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)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5

Technology Process of 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane

There total 4 articles about 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane 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: 65.0%

: 52601-81-7
4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid

: 112193-79-0
N³-benzyl-N¹,N⁵-ditosyl-3-aza-1,5-pentanediamine

: 112193-80-3
1-benzyl-4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane

Guidance literature:: With caesium carbonate; In acetonitrile; at 75 ℃; for 48h;
DOI:10.1515/znb-2007-0313

Reference yield: 60.0%

: 52601-81-7
4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid

: 112193-79-0
N³-benzyl-N¹,N⁵-ditosyl-3-aza-1,5-pentanediamine

: 1,13-bis(benzyl)-4,7,10,16,19,22-hexa(p-toluenesulfonyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosane

: 112193-80-3
1-benzyl-4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane

Guidance literature:: 4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid; With caesium carbonate; In acetonitrile; at 75 ℃; for 2h;

N³-benzyl-N¹,N⁵-ditosyl-3-aza-1,5-pentanediamine; In acetonitrile; at 75 ℃; for 12h;