4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid

Base Information

• Chemical Name: 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid
• CAS No.: 721431-26-1
• Molecular Formula: C₃₄H₅₃N₅O₁₃S
• Molecular Weight: 771.887
• Mol file: 721431-26-1.mol

Synonyms:4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid

Chemical Property of 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid

There total 2 articles about 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-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: 44.0%

4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butyric acid (162827-97-6) + 1 7-oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3 ,4-d]imidazol-4-yl)-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid (721431-18-1) → 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid (721431-26-1)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 25 ℃; for 12h;

DOI:10.1021/jo049848m

Reference yield:

methyl 4-(2-methoxy-5-nitro-4-(1-trifluoroacetamido-ethyl)phenoxy)butanoate (162827-96-5) → 4-{2-Methoxy-5-nitro-4-[1-(3-{2-[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionylamino)-ethyl]-phenoxy}-butyric acid (721431-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.8 g / NaOH / methanol; H₂O / 6 h / Heating

2: 44 percent / 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide*HCl / CH₂Cl₂; dimethylformamide / 12 h / 25 °C

With sodium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/jo049848m

upstream raw materials:

4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butyric acid

1 7-oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3 ,4-d]imidazol-4-yl)-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid

methyl 4-(2-methoxy-5-nitro-4-(1-trifluoroacetamido-ethyl)phenoxy)butanoate