Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-)

Base Information

• Chemical Name: Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-)
• CAS No.: 1352640-87-9
• Molecular Formula: C₄₂H₅₁N₇O₁₁*Gd
• Molecular Weight: 987.157
• Mol file: 1352640-87-9.mol

Synonyms:Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-)

Chemical Property of Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-)

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-)

There total 7 articles about Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OCOC₂H₄C₆H₅)^(4-)=GdC₄₂H₅₁N₇O₁₁^(1-) 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: 44.0%

(CH3)3CCON(CH2)4NC9H5NCH2OCOCH2CH2C6H5 + Gd(III)-1,4,7,10-tetraazacyclododecane-1-glutaric acid-4,7,10-triacetic acid (1233956-56-3) → Gd(3+)*(CH2CH2NCH2COO)3(CH2CH2NCH(COO)CH2CH2CON(CH2)4NC9H5NCH2OCOC2H4C6H5)(4-)=GdC42H51N7O11(1-) (1352640-87-9)

Guidance literature:

With 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide; hydroxybenzotriazole; In 1,4-dioxane; water; N,N-dimethyl-formamide; HCl 6 N, dioxane, room temp., 10 min, then Gd compd., carbodiimide, triazole deriv., DMF/H2O (2:1), room temp., 3 h;

DOI:10.1002/anie.201102948

Reference yield:

Gd(III)-1,4,7,10-tetraazacyclododecane-1-glutaric acid-4,7,10-triacetic acid (1233956-56-3) + C23H25N3O2 (1352204-63-7) → Gd(3+)*(CH2CH2NCH2COO)3(CH2CH2NCH(COO)CH2CH2CON(CH2)4NC9H5NCH2OCOC2H4C6H5)(4-)=GdC42H51N7O11(1-) (1352640-87-9)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield:

tert-butyl 4-(2-((3-phenylpropanoyloxy)methyl)quinolin-7-yl)piperazine-1-carboxylate (1352204-62-6) → Gd(3+)*(CH2CH2NCH2COO)3(CH2CH2NCH(COO)CH2CH2CON(CH2)4NC9H5NCH2OCOC2H4C6H5)(4-)=GdC42H51N7O11(1-) (1352640-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 1,4-dioxane / 0.5 h / 20 °C

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide; water / 3 h / 20 °C

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; water; N,N-dimethyl-formamide;

upstream raw materials:

Gd(III)-1,4,7,10-tetraazacyclododecane-1-glutaric acid-4,7,10-triacetic acid

tert-butyl 4-((2-hydroxymethyl)quinolin-7-yl)piperazine-1-carboxylate

tert-butyl 4-(2-((3-phenylpropanoyloxy)methyl)quinolin-7-yl)piperazine-1-carboxylate

C₂₃H₂₅N₃O₂

Downstream raw materials:

Gd⁽³⁺⁾*(CH₂CH₂NCH₂COO)3(CH₂CH₂NCH(COO)CH₂CH₂CON(CH₂)4NC₉H₅NCH₂OH)^(4-)=GdC₃₃H₄₃N₇O₁₀^(1-)

3-Phenylpropionic acid