2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide

Base Information

• Chemical Name: 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide
• CAS No.: 951238-18-9
• Molecular Formula: C₃₆H₅₃F₃N₁₀O₅
• Molecular Weight: 762.876

Synonyms:2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide

Chemical Property of 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide

Chemical Property:

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Technology Process of 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide

There total 2 articles about 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide 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:

2-{4,7-bis-dimethylcarbamoylmethyl-10-[(4-nitro-phenylcarbamoyl)-methyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-N,N-dimethyl-acetamide (951238-19-0) → 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide (951238-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / hydrazine monohydrate / Pd/C / ethanol / 90 °C

2: 67 percent / CHCl₃ / 20 °C

With hydrazine hydrate; palladium on activated charcoal; In ethanol; chloroform;

DOI:10.1039/b705560a

Reference yield:

2-(4,10-bis-dimethyl-carbamoylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-N,N-dimethyl-acetamide (622872-56-4) → 2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide (951238-18-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / cesium carbonate; potassium iodide / acetonitrile / 72 h / 85 °C

2: 88 percent / hydrazine monohydrate / Pd/C / ethanol / 90 °C

3: 67 percent / CHCl₃ / 20 °C

With caesium carbonate; hydrazine hydrate; potassium iodide; palladium on activated charcoal; In ethanol; chloroform; acetonitrile;

DOI:10.1039/b705560a

Reference yield: 74.0%

2-{4,7-bis(dimethylcarbamoylmethyl)-10-[4-(3-(p-(trifluoromethyl)phenyl)ureido)phenylcarbamoyl]methyl-1,4,7,10-tetraazacyclododec-1-yl}-N,N-dimethylacetamide (951238-18-9) + dichloromethane (75-09-2) + water (7732-18-5) + terbium(III) trifluoromethanesulfonate → Tb(CF3C6H4NHCONHC6H4NHCOCH2N4C8H16(CH2CON(CH3)2)3)(OH2)(3+)*3CF3SO3(1-)*H2O*3CH2Cl2=C36H55N10F3O6Tb(CF3SO3)3*H2O*3CH2Cl2

Guidance literature:

In acetonitrile; a soln. of acetamide and Tb-salt in CH3CN was heated under reflux under Ar atm. for 48 h; pptn. from dry ethyl ether; elem. anal.;

DOI:10.1039/b902955a

upstream raw materials:

2-{4,7-bis-dimethylcarbamoylmethyl-10-[(4-nitro-phenylcarbamoyl)-methyl]-1,4,7,10-tetraaza-cyclododec-1-yl}-N,N-dimethyl-acetamide

2-(4,10-bis-dimethyl-carbamoylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-N,N-dimethyl-acetamide

Downstream raw materials:

(((CH₃)2NC(O)CH₂)3C₈H₁₆N₄(CH₂C(O)NHC₆H₄NHC(O)NHC₆H₄CF₃))Tb(H₂O)⁽³⁺⁾

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