N-(1H-Indol-2-ylcarbonyl)-beta-alanine

Base Information

• Chemical Name: N-(1H-Indol-2-ylcarbonyl)-beta-alanine
• CAS No.: 68724-79-8
• Molecular Formula: C12H12N2O3
• Molecular Weight: 232.239
• Mol file: 68724-79-8.mol

Synonyms:N-(2-Indolylcarbonyl)-β-alanin;3-[(1H-indole-2-carbonyl)-amino]-propionic acid;N-(2-indolecarbonyl)-β-alanine;3-(1H-indole-2-carboxamido)propanoic acid;

Chemical Property of N-(1H-Indol-2-ylcarbonyl)-beta-alanine

Chemical Property:

• PSA: 82.19000
• LogP: 1.76330

Purity/Quality:

98%min ^*data from raw suppliers

N-(1H-Indol-2-ylcarbonyl)-beta-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-(1H-Indol-2-ylcarbonyl)-beta-alanine

There total 4 articles about N-(1H-Indol-2-ylcarbonyl)-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: 93.0%

3-[(1H-indole-2-carbonyl)amino]propionic acid ethyl ester (68724-78-7) → 3-[(1H-indole-2-carbonyl)amino]propionic acid (68724-79-8)

Guidance literature:

With lithium hydroxide; In ethanol; at 20 ℃; for 20h;

DOI:10.1021/jm040013d

Reference yield: 92.0%

methyl 3-(1H-indole-2-carboxamido)propanoate (1146622-75-4) → 3-[(1H-indole-2-carbonyl)amino]propionic acid (68724-79-8)

Guidance literature:

With ethanol; sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1016/j.bioorg.2022.105706

Reference yield:

Indole-2-carboxylic acid (1477-50-5,1228050-17-6) → 3-[(1H-indole-2-carbonyl)amino]propionic acid (68724-79-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-hydroxy-benzptriazole; DCC; Et₃N / dimethylformamide; dioxane; CH₂Cl₂ / 20 °C

2: KOH / dioxane; H₂O / 20 h / 20 °C

With potassium hydroxide; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/ol062338p

upstream raw materials:

3-[(1H-indole-2-carbonyl)amino]propionic acid ethyl ester

Indole-2-carboxylic acid

methyl 3-(1H-indole-2-carboxamido)propanoate

Downstream raw materials:

3,4-dihydroazepino[3,4-b]indole-1,5-(2H,10H)-dione

C₂₉H₃₃N₃O₇S

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