N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

Base Information

Chemical Name:N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide
CAS No.:289684-56-6
Molecular Formula:C₂₉H₃₁N₁₁O₇
Molecular Weight:645.635
Hs Code.:

<i>N</i>-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9<i>H</i>-purin-6-yl]-benzamide

Synonyms:N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

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Chemical Property of N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

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Technology Process of N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

There total 19 articles about N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide 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: 83.0%

: 171486-04-7
N⁶-(benzoyl)-9-(carboxymethyl)adenine

: 289684-55-5
4-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-1,4,7,10tetraaza-cyclododecane-2,8-dione

: 289684-56-6
N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

Guidance literature:: With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(00)00536-0

Reference yield:

: 20924-05-4
thymidyl acetic acid

: 289684-56-6
N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / BOP; DiPEA / dimethylformamide

2: 100 percent / H₂ / Pd/C / propan-2-ol; dimethylformamide

3: 83 percent / BOP; DiPEA / dimethylformamide

With hydrogen; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In N,N-dimethyl-formamide; isopropyl alcohol; 1: Acylation / 2: Hydrogenolysis / 3: Acylation;
DOI:10.1016/S0040-4039(00)00536-0

Reference yield:

: 139166-80-6
N-(2-t-butoxycarbonylaminoethyl)-N-(thymin-1-ylacetyl)glycine

: 289684-56-6
N-[9-(2-{7-[(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-3,9-dioxo-1,4,7,10tetraaza-cyclododec-1-yl}-2-oxo-ethyl)-9H-purin-6-yl]-benzamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: 76 percent / BOP; DiPEA / dimethylformamide

2.1: NaOH / methanol; H₂O

2.2: HCl

3.1: EDC / dimethylformamide

4.1: H₂O / CH₂Cl₂

5.1: 67 percent / DiPEA / acetonitrile

6.1: 100 percent / H₂ / Pd/C / propan-2-ol; dimethylformamide

7.1: 83 percent / BOP; DiPEA / dimethylformamide

With sodium hydroxide; water; hydrogen; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In methanol; dichloromethane; water; N,N-dimethyl-formamide; isopropyl alcohol; acetonitrile; 1.1: Acylation / 2.1: Hydrolysis / 2.2: Hydrolysis / 3.1: Esterification / 4.1: Hydrolysis / 5.1: Acylation / 6.1: Hydrogenolysis / 7.1: Acylation;
DOI:10.1016/S0040-4039(00)00536-0