138884-09-0

Basic information

• Product Name: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(phenylmethyl) ester
• CAS NO: 138884-09-0
• Molecular Formula: C32H38N4O6
• Molecular Weight: 574.677
• Mol File: 138884-09-0.mol

Chemical Properties

• CAS DataBase Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(phenylmethyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(phenylmethyl) ester(138884-09-0)
• EPA Substance Registry System: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(phenylmethyl) ester(138884-09-0)

Safety Data

• Hazardous Substances Data: 138884-09-0(Hazardous Substances Data)

Upstream product

• 501-53-1 benzyl chloroformate 
• 294-90-6 1,4,7,10-tetraazacyclododecan 
• 13139-17-8 N-(Benzyloxycarbonyloxy)succinimide 
• 31139-36-3 dibenzyl dicarbonate 

Downstream Products

• 138884-10-3 Tribenzyl 10-<1-(Ethoxycarbonyl)ethyl>-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 
• 180066-80-2 N-[3-(tert-Butoxycarbonyl)aminopropyl]-2-(4,7,10-tribenzyloxycarbonyl-1,4,7,10-tetraazacyclododec-1-yl)acetamide 
• 752252-79-2 1,4,7-tris-(benzyloxycarbonyl)-10-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 869339-36-6 2,4,6-triiodo-5-({10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]}-acetyl)methylaminoisophthalic acid N,N-bis-(3-aza-4-oxopentane-1,5-diyl-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]})amide 
• 869339-40-2 2,4,6-triiodo-5-(2-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]}-propionyl)aminoisophthalic acid N,N-bis-(3-aza-5-methyl-4-oxopentane-1,5-diyl-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]})amide 
• 869339-95-7 2,4,6-triiodo-5-({10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]}-acetyl)aminoisophthalic acid N,N-bis-(3-aza-4-oxopentane-1,5-diyl-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]})amide 
• 869339-48-0 2,4,6-triiodo-5-(2-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]}-propionyl)methylaminoisophthalic acid N,N-bis-(3,6-diaza-4,7-dioxo-8-methyloctane-1,5-diyl-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]})amide 
• 869339-32-2 2,4,6-triiodo-5-(2-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]}-propionyl)methylaminoisophthalic acid N,N-bis-(3-aza-5-methyl-4-oxopentane-1,5-diyl-{10-[1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecanyl]})amide 
• 1439371-40-0 1,4,7-tris(benzyloxycarbonyl)-10-(4-methylphenyl)-1,4,7,10-tetraazacyclododecane 
• 473894-90-5 10-{[({tert-butoxycarbonylmethyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-ethyl]-carbamoyl}-methyl)-carbamoyl]-methyl}-1,4,7,10tetraaza-cyclododecane-1,4,7-tricarboxylic acid tribenzyl ester 
• 473894-88-1 ethyl N-({4,7,10-tris[(benzyloxy)carbonyl]-1,4,7,10-tetraazacyclododecan-1-yl} acetyl)glycinate 
• 473894-89-2 N-({4,7,10-tris[(benzyloxy)carbonyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetyl)glycine 
• 400894-66-8 1,4,7-tris-(benzyloxycarbonyl)-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane 
• 138884-12-5 Tribenzyl 10-(1-Hydroxyprogan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 

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The synthesis of monogadolinium 10-(1-hydroxypropan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyltriacete 12 has been achieved trough a multistep sequence.The key step in the synthesis was the reaction of the previously unknown tribenzyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 6 with ethyl 2-(trifluoromethylsulphonyloxy)propionate 4 to give 7.Reduction of 7 with LiBH4/9-OMe-BBN, followed by hydrogenolysis of the protecting groups (Z groups) yielded 2-(1,4,7,10-tetraazacyclododec-1-yl)propanol 10.The monosubstituted macrocycle 10 was alkylated withbromoacetic acid and then complexed with gadolinium oxide to yield the title compound.