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
• Article Data: 3

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

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

Downstream Products

• 1439371-40-0 1,4,7-tris(benzyloxycarbonyl)-10-(4-methylphenyl)-1,4,7,10-tetraazacyclododecane 
• 138884-12-5 Tribenzyl 10-(1-Hydroxyprogan-2-yl)-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 
• 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 
• 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 
• 869339-95-7 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 
• 869339-40-2 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 
• 869339-36-6 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 
• 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 
• 752252-79-2 1,4,7-tris-(benzyloxycarbonyl)-10-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 138884-10-3 Tribenzyl 10-<1-(Ethoxycarbonyl)ethyl>-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 

Relevant articles and documents

Simultaneous Triple Imaging with Two PARASHIFT Probes: Encoding Anatomical, pH and Temperature Information using Magnetic Resonance Shift Imaging

The chemical shift of paramagnetically shifted resonances in lanthanide(III) complexes encodes information about temperature and has also been made to report pH in parallel, through introduction of a single phosphonate group adjacent to the reporter tert-

Synthesis of Gadolinium (+/-)-10-(1-Hydroxypropan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyltriacetate via Tribenzyl 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylate

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.