10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

Base Information

Chemical Name:10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester
CAS No.:862097-49-2
Molecular Formula:C₅₇H₈₂BrN₇O₁₃
Molecular Weight:1153.22
Hs Code.:

10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

Synonyms:10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

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Chemical Property of 10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

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Technology Process of 10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

There total 3 articles about 10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester 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: 53.0%

: 862097-48-1
10-{[(3-aminopropyl)ethoxycarbonylmethylcarbamoyl]methyl}-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

: 88333-03-3,10340-91-7
Benzyl isocyanide

: 1122-91-4
4-bromo-benzaldehyde

: 120465-56-7
4-(dimethoxymethyl)benzoic acid

: 862097-49-2
10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: In methanol; at 20 ℃; for 24h;
DOI:10.1021/ja052191h

Reference yield:

: 126849-87-4
(3-benzyloxycarbonylaminoaminopropylamino)acetic acid ethyl ester

: 862097-49-2
10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium*PF₆ / acetonitrile / 0.5 h

1.2: 69 percent / DIEA / acetonitrile / 1 h / 20 °C

2.1: 95 percent / H₂ / Pd/C / tetrahydrofuran / 24 h / 760 Torr

3.1: 53 percent / methanol / 24 h / 20 °C

With hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; palladium on activated charcoal; In tetrahydrofuran; methanol; acetonitrile; 3.1: Ugi condensation;
DOI:10.1021/ja052191h

Reference yield:

: 862097-47-0
10-{[(3-benzyloxycarbonylaminopropyl)ethoxycarbonylmethylcarbamoyl]methyl}-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

: 862097-49-2
10-[2-({4-[[benzylcarbamoyl-(4-bromophenyl)methyl]-(4-dimethoxymethylbenzoyl)amino]butyl}ethoxycarbonylamino)-2-oxo-ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7,-tricarboxylic acid tri-tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / H₂ / Pd/C / tetrahydrofuran / 24 h / 760 Torr

2: 53 percent / methanol / 24 h / 20 °C

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; 2: Ugi condensation;
DOI:10.1021/ja052191h