1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid
• CAS No.: 1613265-64-7
• Molecular Formula: C₅₈H₉₁N₉O₁₂
• Molecular Weight: 1106.41

Synonyms:1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid

Chemical Property of 1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid

Chemical Property:

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Technology Process of 1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid

There total 4 articles about 1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic 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: 86.0%

1-{4-[(3-DOTA(tBu)3-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid methyl ester (1613265-62-5) → 1-{4-[(3-DOTA(tBu)3-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid (1613265-64-7)

Guidance literature:

1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid methyl ester; With water; lithium hydroxide; In 1,4-dioxane; for 5h;

With acetic acid; In 1,4-dioxane; pH=4;

Reference yield:

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid (137076-54-1) → 1-{4-[(3-DOTA(tBu)3-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid (1613265-64-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 1.5 h

2.1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.75 h

3.1: water; lithium hydroxide / 1,4-dioxane / 5 h

3.2: pH 4

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; water; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide;

Reference yield:

N1-(3-dimethylaminopropyl)propane-1,3-diamine (10563-29-8) → 1-{4-[(3-DOTA(tBu)3-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid (1613265-64-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 1.5 h

2.1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.75 h

3.1: water; lithium hydroxide / 1,4-dioxane / 5 h

3.2: pH 4

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; water; N-ethyl-N,N-diisopropylamine; HATU; lithium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide;

upstream raw materials:

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid

N¹-(3-dimethylaminopropyl)propane-1,3-diamine

1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid methyl ester

C₃₆H₇₁N₇O₇

Downstream raw materials:

2-{[1-{4-[(3-DOTA(tBu)₃-aminopropyl)-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl}-5(2,6-dimethoxyphenyl)-1H-pyrazole-3-carbonyl]amino}adamantane-2-carboxylic acid

2-{[1-{4-[3-(DOTA-amino-propyl)-(3-dimethylamino-propyl)-carbamoyl]-2-isopropyl-phenyl}-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid

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