N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt

Base Information

• Chemical Name: N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt
• CAS No.: 1311287-81-6
• Molecular Formula: C₂HF₃O₂*C₂₂H₂₅N₃O₇
• Molecular Weight: 557.48
• Mol file: 1311287-81-6.mol

Synonyms:N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt

Chemical Property of N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt

There total 4 articles about N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt 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:

N-(3-triisopropylsilyloxypropyl)-β-alanine tert-butyl ester (1311290-59-1) + C16H13ClN2O4 (1311290-73-9) + trifluoroacetic acid (76-05-1) → N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt (1311287-81-6)

Guidance literature:

N-(3-triisopropylsilyloxypropyl)-β-alanine tert-butyl ester; C₁₆H₁₃ClN₂O₄; With pyridine; In dichloromethane; at 20 ℃; for 0.5h;

With sodium hydrogencarbonate; trifluoroacetic acid; In water; at 20 ℃;

trifluoroacetic acid; In water; acetonitrile;

Reference yield:

methyl 5-formylfuran-2-carboxylate (5904-71-2) → N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt (1311287-81-6)

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C

1.2: 0 - 20 °C

2.1: lithium hydroxide / water; methanol / 1.67 h / 20 °C

2.2: 0.17 h

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / pyridine / 20 °C

4.1: 0.25 h / 20 °C

5.1: thionyl chloride / 0.17 h / 70 °C

6.1: pyridine / dichloromethane / 0.5 h / 20 °C

6.2: 20 °C

With pyridine; thionyl chloride; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In tetrahydrofuran; pyridine; methanol; dichloromethane; water;

Reference yield:

5-[(1E)-2-(tert-butoxycarbonyl)-prop-1-en-1-yl]furan-2-carboxylic acid methyl ester (1311290-70-6) → N-{(2E)-3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropenoyl}-N-(3-hydroxypropyl)-β-alanine trifluoroacetic acid salt (1311287-81-6)

Guidance literature:

Multi-step reaction with 5 steps

1.1: lithium hydroxide / water; methanol / 1.67 h / 20 °C

1.2: 0.17 h

2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / pyridine / 20 °C

3.1: 0.25 h / 20 °C

4.1: thionyl chloride / 0.17 h / 70 °C

5.1: pyridine / dichloromethane / 0.5 h / 20 °C

5.2: 20 °C

With pyridine; thionyl chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; lithium hydroxide; In pyridine; methanol; dichloromethane; water;

upstream raw materials:

N-(3-triisopropylsilyloxypropyl)-β-alanine tert-butyl ester

C₁₆H₁₃ClN₂O₄

trifluoroacetic acid

methyl 5-formylfuran-2-carboxylate

Refernces