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

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 methyl ester
• CAS No.: 1613265-62-5
• Molecular Formula: C₅₉H₉₃N₉O₁₂
• Molecular Weight: 1120.44

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

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

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 methyl ester

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

1-(4-carboxy-2-isopropyl-phenyl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester (184163-80-2) + C36H71N7O7 (1613265-63-6) → 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)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 0.75h;

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 methyl ester (1613265-62-5)

Guidance literature:

Multi-step reaction with 2 steps

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

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

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; HATU; In 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 methyl ester (1613265-62-5)

Guidance literature:

Multi-step reaction with 2 steps

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

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

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

upstream raw materials:

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

1-(4-carboxy-2-isopropyl-phenyl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester

C₃₆H₇₁N₇O₇

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

Downstream raw materials:

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

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

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

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