1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester

Base Information

• Chemical Name: 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester
• CAS No.: 306776-75-0
• Molecular Formula: C₂₃H₃₈N₄O₄
• Molecular Weight: 434.579

Synonyms:1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester

Chemical Property of 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester

Chemical Property:

Purity/Quality:

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Technology Process of 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester

There total 3 articles about 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)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: 21.0%

1,4,7,10-tetraazacyclododecan (294-90-6) + α-bromosuccinic acid-1-tertbutylester-4-benzyl ester (306776-73-8) → 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester (306776-75-0)

Guidance literature:

In chloroform; at 20 ℃; for 48h;

DOI:10.1016/S0960-894X(00)00413-3

Reference yield:

(S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid (2177-63-1,25248-99-1) → 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester (306776-75-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HBr; NaBr; NaNO₂ / 2 h / 0 °C

2: DMA; BF₃*OEt₂ / cyclohexane; CHCl₃ / 72 h / 20 °C

3: 21 percent / CHCl₃ / 48 h / 20 °C

With boron trifluoride diethyl etherate; hydrogen bromide; 2,4-dichlorophenoxyacetic acid dimethylamine; sodium bromide; sodium nitrite; In chloroform; cyclohexane; 1: Substitution / 2: Alkylation / 3: Alkylation;

DOI:10.1016/S0960-894X(00)00413-3

Reference yield:

2-bromo-succinic acid 4-benzyl ester (88850-36-6) → 1,4,7,10-tetraazacyclododec-1-yl-butanedioic acid 1-(1,1-dimethylethyl)4-(phenylmethyl)ester (306776-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: DMA; BF₃*OEt₂ / cyclohexane; CHCl₃ / 72 h / 20 °C

2: 21 percent / CHCl₃ / 48 h / 20 °C

With boron trifluoride diethyl etherate; 2,4-dichlorophenoxyacetic acid dimethylamine; In chloroform; cyclohexane; 1: Alkylation / 2: Alkylation;

DOI:10.1016/S0960-894X(00)00413-3

upstream raw materials:

1,4,7,10-tetraazacyclododecan

α-bromosuccinic acid-1-tertbutylester-4-benzyl ester

(S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid

2-bromo-succinic acid 4-benzyl ester

Downstream raw materials:

2-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-yl)-succinic acid 4-benzyl ester 1-tert-butyl ester

octahydro-7H,9bH-2a,4a,7,9a-tetraazacycloocta[cd]pentalene-7-acetic acid α-[[(phenylmethoxy)carbonyl]methyl] 1,1-dimethylethyl ester

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