Coumarin, 3-(3-pyridyl)-, N-oxide

Base Information

Chemical Name:Coumarin, 3-(3-pyridyl)-, N-oxide
CAS No.:958-55-4
Molecular Formula:C₁₄H₉NO₃
Molecular Weight:239.23
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70241963
Nikkaji Number:J48.501B
Wikidata:Q83125531
Mol file:958-55-4.mol

Synonyms:BRN 0884742;3-(3-Pyridyl)coumarin N-oxide;COUMARIN, 3-(3-PYRIDYL)-, N-OXIDE;958-55-4;3-(1-oxidopyridin-1-ium-3-yl)chromen-2-one;DTXSID70241963;LS-55272;3-(2-Oxo-2H-1-benzopyran-3-yl)pyridine 1-oxide

Suppliers and Price of Coumarin, 3-(3-pyridyl)-, N-oxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Coumarin, 3-(3-pyridyl)-, N-oxide

Chemical Property:

Vapor Pressure:5.04E-12mmHg at 25°C
Boiling Point:547.1°C at 760 mmHg
Flash Point:284.7°C
PSA：55.67000
Density:1.29g/cm³
LogP:2.88850
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:239.058243149
Heavy Atom Count:18
Complexity:366

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C[N+](=CC=C3)[O-]

Technology Process of Coumarin, 3-(3-pyridyl)-, N-oxide

There total 4 articles about Coumarin, 3-(3-pyridyl)-, N-oxide 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:

: 837-96-7
3-(pyridin-3-yl)-2H-chromen-2-one

: 958-55-4
3-<3-Pyridyl>-cumarin-N-oxid

Guidance literature:: With dihydrogen peroxide; acetic acid;
DOI:10.1021/jm00334a010

Reference yield:

: 501-81-5
pyridyl-3-yl-acetic acid

: 958-55-4
3-<3-Pyridyl>-cumarin-N-oxid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N, Ac₂O

2: aq. H₂O₂, AcOH

With dihydrogen peroxide; acetic anhydride; acetic acid; triethylamine;
DOI:10.1021/jm00334a010

Reference yield:

: 90-02-8
salicylaldehyde

: 958-55-4
3-<3-Pyridyl>-cumarin-N-oxid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N, Ac₂O

2: aq. H₂O₂, AcOH

With dihydrogen peroxide; acetic anhydride; acetic acid; triethylamine;
DOI:10.1021/jm00334a010