6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one

Base Information

• Chemical Name: 6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one
• CAS No.: 197094-19-2
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.15
• Hs Code.: 2933990090
• European Community (EC) Number: 828-968-7
• DSSTox Substance ID: DTXSID10571933
• Nikkaji Number: J881.081H
• Wikidata: Q82460129
• Mol file: 197094-19-2.mol

Synonyms:6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one;197094-19-2;Pyrazolo[1,5-a]pyridin-4(5H)-one, 6,7-dihydro-;6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;MFCD13176260;SCHEMBL15473960;DTXSID10571933;XHA09419;AKOS022171584;DS-5674;SY109228;CS-0006418;4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-4-one;C73751;EN300-249729

Chemical Property of 6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one

Chemical Property:

• Boiling Point: 281.8±9.0 °C(Predicted)
• PKA: 0.18±0.20(Predicted)
• PSA: 34.89000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 0.85960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=CC=NN2C1

Technology Process of 6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one

There total 5 articles about 6,7-Dihydropyrazolo[1,5-a]pyridin-4(5H)-one 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: 97.0%

ethyl 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate → 6,7-dihydropyrazolo[1,5-a]pyridine-4(5H)-one (197094-19-2)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2020.127459

Reference yield: 38.0%

4-(1H-pyrazol-1-yl)butanoic acid (110525-56-9) → 6,7-dihydropyrazolo[1,5-a]pyridine-4(5H)-one (197094-19-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; -78 deg C 15 min, -45 deg C 1 h and room t., 3.5 h;

DOI:10.1055/s-1997-955

Reference yield:

2-(4-ethoxy-4-oxo-butyl)pyrazole-3-carboxylic acid ethyl ester → 6,7-dihydropyrazolo[1,5-a]pyridine-4(5H)-one (197094-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / toluene / 0.5 h / 110 °C

2: lithium chloride / dimethyl sulfoxide / 24 h / 120 °C

With potassium tert-butylate; lithium chloride; In dimethyl sulfoxide; toluene;

upstream raw materials:

4-(1H-pyrazol-1-yl)butanoic acid

4-Pyrazol-1-yl-butyric acid ethyl ester