2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid

Base Information

• Chemical Name: 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid
• CAS No.: 1259007-88-9
• Molecular Formula: C₂₇H₄₀N₆O₁₂
• Molecular Weight: 640.648
• Mol file: 1259007-88-9.mol

Synonyms:2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid

Chemical Property of 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid

There total 6 articles about 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid 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: 98.0%

tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl]({1-[4-(nitro)phenyl]-3-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}propan-2-yl})amino}acetate (1258945-88-8) → 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid (1259007-88-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 14h; Cooling with ice;

DOI:10.1016/j.bmcl.2011.06.107

Reference yield:

tert-butyl 2-(4-nitrobenzyl)aziridine 1-carboxylate (1005484-23-0) → 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid (1259007-88-9)

Guidance literature:

Multi-step reaction with 5 steps

1: acetonitrile

2: hydrogenchloride / 1,4-dioxane / 14 h / 20 °C / Cooling with ice

3: sodium hydroxide / chloroform; water / pH 7

4: potassium carbonate / acetonitrile / 8 h / 65 °C

5: hydrogenchloride / 1,4-dioxane / 14 h / 20 °C / Cooling with ice

With hydrogenchloride; potassium carbonate; sodium hydroxide; In 1,4-dioxane; chloroform; water; acetonitrile;

DOI:10.1016/j.bmcl.2011.06.107

Reference yield:

1-(4-nitrophenyl)-3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-2-amine hydrochloride (1352042-12-6) → 2-[(carboxymethyl)[1-(4-nitrophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid (1259007-88-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / chloroform; water / pH 7

2: potassium carbonate / acetonitrile / 8 h / 65 °C

3: hydrogenchloride / 1,4-dioxane / 14 h / 20 °C / Cooling with ice

With hydrogenchloride; potassium carbonate; sodium hydroxide; In 1,4-dioxane; chloroform; water; acetonitrile;

DOI:10.1016/j.bmcl.2011.06.107

upstream raw materials:

tert-butyl 2-(4-nitrobenzyl)aziridine 1-carboxylate

tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl]({1-[4-(nitro)phenyl]-3-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}propan-2-yl})amino}acetate

1-(4-nitrophenyl)-3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-2-amine hydrochloride

tert-butyl N-[1-(4-nitrophenyl)-3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-2-yl]carbamate

Downstream raw materials:

2-[(carboxymethyl)[1-(4-isothiocyanatophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl]amino]acetic acid

2-{[1-(4-aminophenyl)-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]propan-2-yl](carboxymethyl)amino}acetic acid