5H-(1)Benzopyrano(4,3-b)pyridin-5-one

Base Information

• Chemical Name: 5H-(1)Benzopyrano(4,3-b)pyridin-5-one
• CAS No.: 85175-31-1
• Molecular Formula: C₁₂H₇NO₂
• Molecular Weight: 197.193
• DSSTox Substance ID: DTXSID60234344
• Nikkaji Number: J3.247.200A
• Wikidata: Q83116097
• Mol file: 85175-31-1.mol

Synonyms:5H-(1)Benzopyrano(4,3-b)pyridin-5-one;85175-31-1;SCHEMBL15564089;DTXSID60234344;5-oxo-5h-chromeno[4,3-b]pyridine;LS-39884;5H-[1]Benzopyrano[4,3-b]pyridine-5-one

Chemical Property of 5H-(1)Benzopyrano(4,3-b)pyridin-5-one

Chemical Property:

• Vapor Pressure: 3.52E-06mmHg at 25°C
• Boiling Point: 386.5°C at 760 mmHg
• Flash Point: 187.6°C
• Density: 1.342g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.047678466
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=CC=N3)C(=O)O2

Technology Process of 5H-(1)Benzopyrano(4,3-b)pyridin-5-one

There total 12 articles about 5H-(1)Benzopyrano(4,3-b)pyridin-5-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: 95.0%

2-bromonicotinic acid methyl ester (52718-95-3) + 2-hydroxyphenyl boronic acid (89466-08-0) → 5H-chromeno[4,3-b]pyridin-5-one (85175-31-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; caesium carbonate; In 1,2-dimethoxyethane; at 125 ℃; for 0.25h; Inert atmosphere; Microwave irradiation; Combinatorial reaction / High throughput screening (HTS);

DOI:10.1021/cc100068a

Reference yield: 80.0%

4-(prop-2-yn-1-ylamino)-2H-chromen-2-one → 5H-chromeno[4,3-b]pyridin-5-one (85175-31-1)

Guidance literature:

With silver nitrate; In dimethyl sulfoxide; at 120 ℃; for 3h; Reagent/catalyst; Solvent; Temperature; Time; Catalytic behavior;

DOI:10.1055/s-0037-1610730

Reference yield: 78.0%

2-phenyl-3-pyridinecarboxylic acid (33421-39-5) → 5H-chromeno[4,3-b]pyridin-5-one (85175-31-1)

Guidance literature:

With lithium perchlorate; In acetonitrile; at 20 ℃; for 5h; regioselective reaction; Electrolysis; Electrochemical reaction;

DOI:10.1002/chem.201801108

upstream raw materials:

1,2,3,4-Tetrahydro-5H-<1>benzopyrano<4,3-b>pyridin-5-on

N-benzyl-2-piperidinone

1-methylpiperidin-2-one

3-(2-Hydroxybenzoyl)-1-methyl-2-piperidone