C₅₄H₇₁N₉O₁₄

Base Information

• Chemical Name: C₅₄H₇₁N₉O₁₄
• CAS No.: 1632161-61-5
• Molecular Formula: C₅₄H₇₁N₉O₁₄
• Molecular Weight: 1070.21
• Mol file: 1632161-61-5.mol

Synonyms:C₅₄H₇₁N₉O₁₄

Chemical Property of C₅₄H₇₁N₉O₁₄

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₅₄H₇₁N₉O₁₄

There total 4 articles about C₅₄H₇₁N₉O₁₄ 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: 50.0%

N-[3-[[[(2S)-2-amino-3-methylbutanoyl]amino]carbamoyl]-4-methoxyphenyl]acetamide (908341-15-1) + 4-[[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-7-(4-hydroxy-4-oxo-butoxy)-2-naphtyl]oxy]butanoic acid (1632161-77-3) → C54H71N9O14 (1632161-61-5)

Guidance literature:

With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1039/c4md00032c

Reference yield:

3-bromonaphthalene-2,7-diol (102653-36-1) → C54H71N9O14 (1632161-61-5)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 50 °C

2: potassium carbonate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 15 h / 110 °C / Schlenk technique; Inert atmosphere

3: hydrogen; palladium on carbon / methanol; ethyl acetate / 24 h / 20 °C

4: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; benzotriazol-1-ol / N,N-dimethyl-formamide / 48 h / 20 °C / Inert atmosphere

With palladium on carbon; hydrogen; palladium diacetate; potassium carbonate; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; methanol; ethyl acetate; N,N-dimethyl-formamide; 2: |Buchwald-Hartwig Coupling;

DOI:10.1039/c4md00032c

Reference yield:

2,7-Dihydroxynaphthalene (582-17-2) → C54H71N9O14 (1632161-61-5)

Guidance literature:

Multi-step reaction with 5 steps

1.1: bromine / acetic acid / 1.5 h

1.2: 24 h / 80 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 50 °C

3.1: potassium carbonate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 15 h / 110 °C / Schlenk technique; Inert atmosphere

4.1: hydrogen; palladium on carbon / methanol; ethyl acetate / 24 h / 20 °C

5.1: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; benzotriazol-1-ol / N,N-dimethyl-formamide / 48 h / 20 °C / Inert atmosphere

With palladium on carbon; hydrogen; bromine; palladium diacetate; potassium carbonate; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; methanol; acetic acid; ethyl acetate; N,N-dimethyl-formamide; 3.1: |Buchwald-Hartwig Coupling;

DOI:10.1039/c4md00032c

upstream raw materials:

3-bromonaphthalene-2,7-diol

benzyl 4-[[7-(4-benzyloxy-4-oxo-butoxy)-6-bromo-2-naphthyl]oxy]butanoate

N-[3-[[[(2S)-2-amino-3-methylbutanoyl]amino]carbamoyl]-4-methoxyphenyl]acetamide

4-[[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-7-(4-hydroxy-4-oxo-butoxy)-2-naphtyl]oxy]butanoic acid

Downstream raw materials:

C₅₁H₆₇N₉O₁₄