2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Base Information

Chemical Name:2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
CAS No.:1314043-21-4
Molecular Formula:C₃₀H₄₄N₆O₈
Molecular Weight:616.715
Hs Code.:

Synonyms:2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

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Chemical Property of 2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

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Technology Process of 2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

There total 3 articles about 2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic 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: 29.0%

: 53293-00-8
hex-5-ynoic acid

: 1314043-15-6
2,2',2''-(10-(2-(4-(aminomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclo-dodecane-1,4,7-triyl)triacetic acid

: 1314043-21-4
2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: hex-5-ynoic acid; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 0.0333333h;

2,2',2''-(10-(2-(4-(aminomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclo-dodecane-1,4,7-triyl)triacetic acid; In N,N-dimethyl-formamide; for 0.5h;
DOI:10.1016/j.bmc.2010.12.047

Reference yield:

: 60239-18-1
1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane

: 1314043-21-4
2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: pyridine; diisopropyl-carbodiimide / water; acetonitrile

2.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.03 h

2.2: 0.5 h

With pyridine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2010.12.047

Reference yield:

: 539-48-0
p-xylylidenediamine

: 1314043-21-4
2,2',2-(10-(2-(4-(hex-5-ynamidomethyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: pyridine; diisopropyl-carbodiimide / water; acetonitrile

2.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.03 h

2.2: 0.5 h

With pyridine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2010.12.047