3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile
• CAS No.: 948883-29-2
• Molecular Formula: C₁₀H₇N₃O
• Molecular Weight: 185.185
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40693617
• Wikidata: Q82622629
• Mol file: 948883-29-2.mol

Synonyms:948883-29-2;3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile;3-imidazo[1,2-a]pyridin-6-yl-3-oxo-propionitrile;MFCD13183211;3-{Imidazo[1,2-a]pyridin-6-yl}-3-oxopropanenitrile;Imidazo[1,2-a]pyridine-6-propanenitrile, b-oxo-;3-(6-Imidazo[1,2-a]pyridyl)-3-oxopropanenitrile;SCHEMBL1854738;DTXSID40693617;YMB88329;AKOS015855267;SB40180;SY268563;CS-0318988;F17776;A859234;3-imidazo[1,2-a]pyridin-6-yl-3-oxopropanenitrile

Chemical Property of 3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile

Chemical Property:

• PSA: 58.16000
• LogP: 1.43068
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.058911855
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CN2C=C1C(=O)CC#N

Technology Process of 3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile

There total 2 articles about 3-(Imidazo[1,2-a]pyridin-6-yl)-3-oxopropanenitrile 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: 39.0%

methyl 6-imidazo<1,2-a>pyridinecarboxylate (136117-69-6) + acetonitrile (75-05-8,26809-02-9) → 3-imidazo[1,2-a]pyridin-6-yl-3-oxo-propionitrile (948883-29-2)

Guidance literature:

methyl 6-imidazo<1,2-a>pyridinecarboxylate; With sodium hydride; In toluene; mineral oil; at 80 ℃;

acetonitrile; In toluene; at 80 ℃;

With hydrogenchloride; In water; toluene; pH=2 - 6;

Reference yield: 39.0%

→ 3-imidazo[1,2-a]pyridin-6-yl-3-oxo-propionitrile (948883-29-2)

Guidance literature:

Reference yield: 84.0%

3-imidazo[1,2-a]pyridin-6-yl-3-oxo-propionitrile (948883-29-2) → 5-imidazo[1,2-a]pyridin-6-yl-1H-pyrazol-3-ylamine (948883-30-5)

Guidance literature:

With hydrazine; In ethanol; for 18h; Heating / reflux;

upstream raw materials:

methyl 6-imidazo<1,2-a>pyridinecarboxylate

acetonitrile

Downstream raw materials:

5-imidazo[1,2-a]pyridin-6-yl-1H-pyrazol-3-ylamine

Refernces

• 1、 -. "SYNTHESIS OF PYRAZOLES". Page/Page column 39-40; 43. . Retrieved 2009/08/16.
• 2、 -. "MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF". Page/Page column 46. . Retrieved 2010/11/28.