3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid

Base Information

• Chemical Name: 3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
• CAS No.: 876716-11-9
• Molecular Formula: C₁₀H₉N₃O₃
• Molecular Weight: 219.2
• Hs Code.: 2934999090
• European Community (EC) Number: 863-371-5
• DSSTox Substance ID: DTXSID60390212
• Wikidata: Q82186710
• Mol file: 876716-11-9.mol

Synonyms:876716-11-9;3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid;3-(3-Pyridin-3-yl-[1,2,4]oxadiazol-5-yl)-propionic acid;3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid;3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)propanoic acid;1,2,4-Oxadiazole-5-propanoic acid, 3-(3-pyridinyl)-;DTXSID60390212;XFXBCTUNCOJZGA-UHFFFAOYSA-N;HMS1697C12;BCP24507;BBL007903;MFCD07186410;STK239460;AKOS000112013;AS-69916;CS-0199904;FT-0677717;EN300-36190;SR-01000368694;SR-01000368694-1;Z111582952;3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)propanoicacid;3-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid;3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Chemical Property of 3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.2E-09mmHg at 25°C
• Boiling Point: 470.3°C at 760 mmHg
• Flash Point: 238.2°C
• PSA: 89.11000
• Density: 1.36g/cm³
• LogP: 1.14880
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 219.06439116
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NOC(=N2)CCC(=O)O

Technology Process of 3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid

There total 5 articles about 3-(3-Pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic 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:

C10H11N3O4 → 3-(3-(pyridin-3-yl)-[1,2,4]-oxadiazol-5-yl) propionic acid (876716-11-9)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.08.020

Reference yield:

C11H11N3O3 (1311581-91-5) → 3-(3-(pyridin-3-yl)-[1,2,4]-oxadiazol-5-yl) propionic acid (876716-11-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; ethanol; water; at 20 - 30 ℃;

DOI:10.1002/jhet.177

Reference yield:

nicotinamide oxime (1594-58-7) → 3-(3-(pyridin-3-yl)-[1,2,4]-oxadiazol-5-yl) propionic acid (876716-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 2 h / 20 °C

2: sodium hydroxide / dimethyl sulfoxide / 1 h / 20 °C

With sodium hydroxide; In dimethyl sulfoxide;

DOI:10.1016/j.tetlet.2017.08.020

upstream raw materials:

succinic acid anhydride

C₁₁H₁₁N₃O₃

nicotinamide oxime

pyridine-3-carbonitrile

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