1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane

Base Information

Chemical Name:1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane
CAS No.:406939-92-2
Molecular Formula:C16H21F9N4O3
Molecular Weight:488.353
Hs Code.:
DSSTox Substance ID:DTXSID60465656
Nikkaji Number:J1.882.128A
Wikidata:Q82291793
Mol file:406939-92-2.mol

Synonyms:406939-92-2;1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane;1-[4,8-bis(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-2,2,2-trifluoroethanone;1,4,8,11-Tetraazacyclotetradecane, 1,4,8-tris(trifluoroacetyl)-;YAJIMXYFYCOBMX-UHFFFAOYSA-N;SCHEMBL3833764;DTXSID60465656;1,4,8-Tris(trifluoroacetyl) cyclam;AKOS030254672;1,4,8,11-tetraazacyclotetradecane Hexa(Trifluoroacetic Acid Salt);1,1',1''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8-triyl)tris(2,2,2-trifluoroethan-1-one)

Suppliers and Price of 1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane

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

TRC
1,4,8-Tris(trifluoroacetyl)cyclam
1g
$ 1055.00

Total 1 raw suppliers

Chemical Property of 1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane

Chemical Property:

PSA：72.96000
LogP:1.68500
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:0
Exact Mass:488.14699400
Heavy Atom Count:32
Complexity:665

Purity/Quality:

95% ^*data from raw suppliers

1,4,8-Tris(trifluoroacetyl)cyclam ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCCN(CCCN(CCN(C1)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F

Technology Process of 1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane

There total 3 articles about 1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane 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%

: 295-37-4
1,4,8,11-Tetraazacyclotetradecane

: 383-63-1
ethyl trifluoroacetate,

: 406939-92-2
1,1′,1″-(1,4,8,11-tetraazacyclotetradecane-1,4,8-triyl)tris-(2,2,2-trifluoroethan-1-one)

Guidance literature:: With triethylamine; In methanol; at 20 ℃; for 5.08333h;

Reference yield:

: 295-37-4
1,4,8,11-Tetraazacyclotetradecane

: 76-05-1
trifluoroacetic acid

: 406939-92-2
1,1′,1″-(1,4,8,11-tetraazacyclotetradecane-1,4,8-triyl)tris-(2,2,2-trifluoroethan-1-one)

Guidance literature:: With triethylamine; In methanol; at 20 ℃; for 5h;
DOI:10.1002/ejic.201000919

Reference yield:

: 295-37-4
1,4,8,11-Tetraazacyclotetradecane

: 383-63-1
ethyl trifluoroacetate,

: 2,2,2-Trifluoro-1-(1,4,8,11-tetraaza-cyclotetradec-1-yl)-ethanone

: 2,2,2-Trifluoro-1-[8-(2,2,2-trifluoro-acetyl)-1,4,8,11-tetraaza-cyclotetradec-1-yl]-ethanone

: 2,2,2-Trifluoro-1-[11-(2,2,2-trifluoro-acetyl)-1,4,8,11-tetraaza-cyclotetradec-1-yl]-ethanone

: 406939-92-2
1,1′,1″-(1,4,8,11-tetraazacyclotetradecane-1,4,8-triyl)tris-(2,2,2-trifluoroethan-1-one)

Guidance literature:: In chloroform; at 20 ℃; for 15h; Further Variations:; Reagents; Solvents; Temperatures; Product distribution;
DOI:10.1016/S0040-4039(03)00338-1