1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

Base Information

Chemical Name:1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane
CAS No.:1425936-85-1
Molecular Formula:C₄₇H₈₃N₉O₁₂S
Molecular Weight:998.295
Hs Code.:

1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

Synonyms:1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

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Chemical Property of 1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

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Technology Process of 1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

There total 3 articles about 1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane 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: 78.0%

: 1425936-84-0
6-[(2-chloroethyl)aminosulfonylphenyl]-4-carbamoylmethyl-1,4-bis(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonylmethyl)]-amino-1,4-diazepane

: 294-90-6
1,4,7,10-tetraazacyclododecan

: 1425936-85-1
1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

Guidance literature:: With potassium carbonate; potassium iodide; In acetonitrile; at 60 ℃; for 18h;
DOI:10.1039/c2ob27200h

Reference yield:

: 10130-89-9
p-carboxyphenylsulfonyl chloride

: 1425936-85-1
1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium carbonate / ethyl acetate; water; tetrahydrofuran / 5 h / 20 °C

2.1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 3 h / Reflux

2.2: 1 h / 20 °C

3.1: toluene / 3 h / Reflux

3.2: 18 h / 20 °C

4.1: potassium carbonate; potassium iodide / acetonitrile / 18 h / 60 °C

With thionyl chloride; sodium carbonate; potassium carbonate; N,N-dimethyl-formamide; potassium iodide; In tetrahydrofuran; dichloromethane; water; ethyl acetate; toluene; acetonitrile; 3.1: |Curtius Rearrangement;
DOI:10.1039/c2ob27200h

Reference yield:

: 716358-48-4
4-{[(2-hydroxyethyl)amino]sulfonyl}benzoic acid

: 1425936-85-1
1-{6-[(2-aminoethyl)sulfonylphenyl]-4-carbamoylmethyl-1,4-bis-(t-butoxycarbonylmethyl)-6-[bis(t-butoxycarbonyl methyl)]-amino-1,4-diazepane}-1,4,7,10-tetraazacyclododecane

Guidance literature:: Multi-step reaction with 3 steps

1.1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 3 h / Reflux

1.2: 1 h / 20 °C

2.1: toluene / 3 h / Reflux

2.2: 18 h / 20 °C

3.1: potassium carbonate; potassium iodide / acetonitrile / 18 h / 60 °C

With thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; potassium iodide; In dichloromethane; toluene; acetonitrile; 2.1: |Curtius Rearrangement;
DOI:10.1039/c2ob27200h