1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H -pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester

Base Information

Chemical Name:1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H -pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester
CAS No.:873527-80-1
Molecular Formula:C41H58N10O12
Molecular Weight:882.971
Hs Code.:

1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,
10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H
-pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester

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Chemical Property of 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H -pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester

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Technology Process of 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H -pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester

There total 4 articles about 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[4-[[[1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H -pyrrol-2-yl]carbonyl]amino]-2-nitrophenyl]-, tris(1,1-dimethylethyl) ester 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: 82.0%

: 873527-75-4
10-(4-amino-2-nitro-phenyl)-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester

: 97950-76-0
1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylic acid

: 873527-80-1
10-[4-({1-methyl-4-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)-amino]-1H-pyrrole-2-carbonyl}-amino)-2-nitro-phenyl]-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: With 2,3,5-trimethyl-pyridine; 1-hydroxy-7-aza-benzotriazole; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 60 ℃; for 48h;
DOI:10.1080/00397910500278552

Reference yield:

: 204922-18-9
10-(2,4-dinitro-phenyl)-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester

: 873527-80-1
10-[4-({1-methyl-4-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)-amino]-1H-pyrrole-2-carbonyl}-amino)-2-nitro-phenyl]-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / sodium sulphide; sulphur / ethanol; H₂O / 0.33 h / Heating

2: 82 percent / HATU; HOAt; collidine / dimethylformamide / 48 h / 60 °C

With 2,3,5-trimethyl-pyridine; sodium sulfide; 1-hydroxy-7-aza-benzotriazole; sulfur; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethanol; water; N,N-dimethyl-formamide;
DOI:10.1080/00397910500278552

Reference yield:

: 70-34-8,65727-75-5
2,4-Dinitrofluorobenzene

: 873527-80-1
10-[4-({1-methyl-4-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)-amino]-1H-pyrrole-2-carbonyl}-amino)-2-nitro-phenyl]-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / NaHCO₃ / acetonitrile / 8 h / 40 °C / sonication

2: 64 percent / sodium sulphide; sulphur / ethanol; H₂O / 0.33 h / Heating

3: 82 percent / HATU; HOAt; collidine / dimethylformamide / 48 h / 60 °C

With 2,3,5-trimethyl-pyridine; sodium sulfide; 1-hydroxy-7-aza-benzotriazole; sodium hydrogencarbonate; sulfur; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1080/00397910500278552