{4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

Base Information

Chemical Name:{4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid
CAS No.:272120-41-9
Molecular Formula:C37H46N4O8
Molecular Weight:674.794
Hs Code.:
DSSTox Substance ID:DTXSID80458222
Wikidata:Q82281415
Mol file:272120-41-9.mol

Synonyms:272120-41-9;{4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid;2-[4,7,10-tris(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;SCHEMBL5548988;EX-A7847K;DTXSID80458222;GDUSYVYMSBNFTK-UHFFFAOYSA-N;1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid tris(phenylmethyl)ester

Suppliers and Price of {4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

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

American Custom Chemicals Corporation
(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID 95.00%
1G
$ 1752.43

Total 2 raw suppliers

Chemical Property of {4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

Chemical Property:

Boiling Point:781.4±60.0 °C(Predicted)
PKA:4.24±0.10(Predicted)
PSA：129.16000
Density:1.196±0.06 g/cm3(Predicted)
LogP:4.44310
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:17
Exact Mass:674.33156444
Heavy Atom Count:49
Complexity:945

Purity/Quality:

98% ^*data from raw suppliers

(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Technology Process of {4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

There total 7 articles about {4,7,10-Tris[2-(benzyloxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid 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%

: 1,4,7-tris(benzyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-N-tert-butoxycarbonyl methyl ester

: 272120-41-9
1,4,7-tris(benzyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-N-carbonylmethyl acid

Guidance literature:: With hydrogenchloride; In 1,4-dioxane;

Reference yield: 71.0%

: 1023970-60-6
(4-allyloxycarbonylmethyl-7,10-bis-benzyloxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid benzyl ester

: 272120-41-9
1,4,7-tris(benzyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-N-carbonylmethyl acid

Guidance literature:: With morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1016/j.bmc.2007.11.044