{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

Base Information

Chemical Name:{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid
CAS No.:1392222-52-4
Molecular Formula:C₂₆H₃₇N₅O₈S
Molecular Weight:579.674
Hs Code.:

Synonyms:{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

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Chemical Property of {4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

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Technology Process of {4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

There total 8 articles about {4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}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: 95.0%

: 463-71-8
thiophosgene

: 1392222-51-3
{4-[5-(4-amino-phenyl)-2-bis(carboxymethyl)aminopentyl]-7-carboxymethyl-[1,4,7]triazo-nan-1-yl}acetic acid

: 1392222-52-4
{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

Guidance literature:: In chloroform; water; at 20 ℃; for 3h;

Reference yield:

: 1142811-83-3
{tert-butoxycarbonylmethyl-[1-hydroxymethyl-4-(4-nitrophenyl)butyl]amino}acetic acid tert-butyl ester

: 1392222-52-4
{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 5 h / 0 - 20 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 40 h / -5 - 20 °C

3: 10% Pd/C; hydrogen / ethanol / 14 h / 20 °C / 1034.32 Torr

4: hydrogenchloride / 1,4-dioxane / 18 h / 0 - 20 °C

5: chloroform; water / 3 h / 20 °C

With 1H-imidazole; hydrogenchloride; 10% Pd/C; hydrogen; iodine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In 1,4-dioxane; ethanol; dichloromethane; chloroform; water; acetonitrile;
DOI:10.1021/bc200696b

Reference yield:

: 1392222-48-8
tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl][2-iodo-5-(4-nitrophenyl)pentyl]amino}acetate

: 1392222-52-4
{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 40 h / 0 - 20 °C

2: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C

3: hydrogenchloride / 1,4-dioxane; water / 18 h / 0 - 20 °C

4: chloroform; water / 3 h / 20 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; ethanol; chloroform; water; acetonitrile;