N-Isonicotinoyl-beta-alanine

Base Information

• Chemical Name: N-Isonicotinoyl-beta-alanine
• CAS No.: 147218-38-0
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• Mol file: 147218-38-0.mol

Synonyms:

Chemical Property of N-Isonicotinoyl-beta-alanine

Chemical Property:

Purity/Quality:

98%min ^*data from raw suppliers

3-(pyridin-4-ylformamido)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-Isonicotinoyl-beta-alanine

There total 4 articles about N-Isonicotinoyl-beta-alanine 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: 71.0%

benzyl 3-(isonicotinamido)propanoate → 3-(isonicotinamido)propanoic acid (147218-38-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 50 ℃; for 12h;

DOI:10.1016/j.bioorg.2020.104208

Reference yield:

pyridine-4-carboxylic acid (55-22-1) → 3-(isonicotinamido)propanoic acid (147218-38-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0.5 h / Inert atmosphere; Schlenk technique

1.2: 20 h / 20 °C / Inert atmosphere; Schlenk technique

2.1: palladium on carbon / methanol / 3 h / 50 °C / Schlenk technique; Sonication

With palladium on carbon; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; dichloromethane;

DOI:10.1002/chem.201403836

Reference yield:

isonicotinoyl chloride hydrochloride (39178-35-3) → 3-(isonicotinamido)propanoic acid (147218-38-0)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 6.17 h / 0 - 20 °C

2: hydrogen; palladium on activated charcoal / methanol / 12 h / 50 °C

With palladium on activated charcoal; hydrogen; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

DOI:10.1016/j.bioorg.2020.104208

upstream raw materials:

pyridine-4-carboxylic acid

isonicotinoyl chloride hydrochloride

Refernces

• 1、 -. "Fluoroquinolone such amino derivative and use thereof (by machine translation)". Paragraph 0104; 0105; 0108; 0111. . Retrieved 2018/04/26.