2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid

Base Information

• Chemical Name: 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid
• CAS No.: 910449-73-9
• Molecular Formula: C₂₅H₃₁N₅O₈
• Molecular Weight: 529.55

Synonyms:2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid

Chemical Property of 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid

Chemical Property:

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Technology Process of 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid

There total 4 articles about 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric 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:

2-(3,9-bis(ethoxycarbonylmethyl)-3,6,9,15-tetraazabicyclo-[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl)-4-(4-nitrophenyl)butyric acid, methyl ester of (910449-72-8) → 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl)-4-(4-nitrophenyl)butyric acid (910449-73-9)

Guidance literature:

With hydrogenchloride; In water; for 48h; Reflux;

Reference yield:

(9-ethoxycarbonylmethyl-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl)acetic acid, ethyl ester of (910449-71-7) → 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl)-4-(4-nitrophenyl)butyric acid (910449-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / di-isopropyl ether; acetonitrile / 48 h / 85 °C

2: hydrogenchloride / water / 48 h / Reflux

With hydrogenchloride; potassium carbonate; In di-isopropyl ether; water; acetonitrile;

Reference yield:

tert-butyl 3,9-bis(2-nitrophenylsulfonyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadecane-1(15),11,13-triene-6-carbamate (353246-05-6) → 2-(3,9-Bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl)-4-(4-nitrophenyl)butyric acid (910449-73-9)

Guidance literature:

Multi-step reaction with 5 steps

1: mercaptoacetic acid; lithium hydroxide / N,N-dimethyl-formamide / 6.5 h / 25 °C

2: potassium carbonate / di-isopropyl ether; acetonitrile / 24 h / Reflux

3: trifluoroacetic acid / 1.5 h / 25 °C

4: potassium carbonate / di-isopropyl ether; acetonitrile / 48 h / 85 °C

5: hydrogenchloride / water / 48 h / Reflux

With hydrogenchloride; potassium carbonate; mercaptoacetic acid; trifluoroacetic acid; lithium hydroxide; In di-isopropyl ether; water; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

tert-butyl 3,9-bis(2-nitrophenylsulfonyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadecane-1⁽¹⁵⁾,11,13-triene-6-carbamate

tert-butyl 3,6,9,15-tetraazabicyclo[9.3.1]pentadecane-1⁽¹⁵⁾,11,13-triene-6-carbamate

(9-ethoxycarbonylmethyl-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁵⁾,11,13-trien-3-yl)acetic acid, ethyl ester of

2-(3,9-bis(ethoxycarbonylmethyl)-3,6,9,15-tetraazabicyclo-[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid, methyl ester of

Downstream raw materials:

2-(3,9-bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)-4-(4-nitrophenyl)butyric acid, gadolinium complex of

4-(4-aminophenyl)-2-(3,9-bis(carboxymethyl)-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1⁽¹⁴⁾,11⁽¹⁵⁾,12-trien-6-yl)butyric acid, gadolinium complex of

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