5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Base Information

• Chemical Name: 5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
• CAS No.: 61192-50-5
• Molecular Formula: C₁₀H₁₂N₂O₂
• Molecular Weight: 192.217
• DSSTox Substance ID: DTXSID20866842
• Nikkaji Number: J1.162.994F
• Mol file: 61192-50-5.mol

Synonyms:61192-50-5;5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;Pyrrolidin-2-one, 5-hydroxy-1-methyl-5-pyridin-3-yl-;SCHEMBL11098477;DTXSID20866842;BBNHNZGTKSWIHD-UHFFFAOYSA-N;5-Hydroxy-1-methyl-5-(3-pyridyl)pyrrolidin-2-one;5-HYDROXY-1-METHYL-5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE

Chemical Property of 5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 417.651°C at 760 mmHg
• Flash Point: 206.388°C
• PSA: 53.43000
• Density: 1.289g/cm³
• LogP: 0.41680
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CCC1(C2=CN=CC=C2)O

Technology Process of 5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

There total 12 articles about 5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-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: 92.0%

5-hydroxy-1-methyl-5-(3-pyridinyl)-3-pyrrolin-2-one (122745-79-3) → 5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone (61192-50-5,75919-05-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 20h;

DOI:10.1021/jo00317a021

Reference yield: 90.0%

1-methyl-5-methoxy-5-(3-pyridyl)-2-pyrrolidinone (230308-22-2) → 5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone (61192-50-5,75919-05-0)

Guidance literature:

With trimethylsilyl iodide; In chloroform; at 20 ℃; for 24h;

DOI:10.1021/tx990019j

Reference yield: 70.0%

4-oxo-4-(pyridin-3-yl)butanoic acid (4192-31-8) + methylamine hydrochloride (593-51-1) → 4-(3-pyridyl)-4-oxo-N-methylbutyramide (713-05-3) + 5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone (61192-50-5,75919-05-0)

Guidance literature:

With 1-hydroxy-pyrrolidine-2,5-dione; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 20 ℃; for 22h;

DOI:10.1021/acs.chemrestox.6b00384

upstream raw materials:

cotinine

5-hydroxy-1-methyl-5-(3-pyridinyl)-3-pyrrolin-2-one

1-methyl-5-methoxy-5-(3-pyridyl)-2-pyrrolidinone

2-acetoxy-1-methyl-5-(3-pyridyl)pyrrole

Downstream raw materials:

4-(3-pyridyl)-4-oxo-N-methylbutyramide