Pyrido[3,4-D]pyridazin-1(2H)-one

Base Information

Chemical Name:Pyrido[3,4-D]pyridazin-1(2H)-one
CAS No.:25381-41-3
Molecular Formula:C7H5N3O
Molecular Weight:147.13400
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00447956
Wikidata:Q82266857
ChEMBL ID:CHEMBL3769521
Mol file:25381-41-3.mol

Synonyms:PYRIDO[3,4-D]PYRIDAZIN-1(2H)-ONE;25381-41-3;2H-PYRIDO[3,4-D]PYRIDAZIN-1-ONE;pyrido[3,4-d]pyridazin-1-ol;CHEMBL3769521;SCHEMBL2952488;DTXSID00447956;LVWFGUZOHQWWFU-UHFFFAOYSA-N;BDBM50150024;MFCD18253741;AS-42424;CS-0106966;FT-0764522

Suppliers and Price of Pyrido[3,4-D]pyridazin-1(2H)-one

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

TRC
Pyrido[3,4-D]pyridazin-1(2H)-one
100mg
$ 310.00

Crysdot
Pyrido[3,4-d]pyridazin-1(2H)-one 95+%
1g
$ 638.00

Alichem
Pyrido[3,4-d]pyridazin-1(2h)-one
1g
$ 624.68

AccelPharmtech
Pyrido[3,4-d]pyridazin-1(2H)-one 97.00%
25G
$ 5120.00

AccelPharmtech
Pyrido[3,4-d]pyridazin-1(2H)-one 97.00%
5G
$ 2750.00

AccelPharmtech
Pyrido[3,4-d]pyridazin-1(2H)-one 97.00%
1G
$ 2370.00

Total 8 raw suppliers

Chemical Property of Pyrido[3,4-D]pyridazin-1(2H)-one

Chemical Property:

PKA:10.56±0.20(Predicted)
PSA：58.64000
Density:1.47±0.1 g/cm3(Predicted)
LogP:0.31810
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:147.043261791
Heavy Atom Count:11
Complexity:202

Purity/Quality:

97% ^*data from raw suppliers

Pyrido[3,4-D]pyridazin-1(2H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN=CC2=C1C(=O)NN=C2

Technology Process of Pyrido[3,4-D]pyridazin-1(2H)-one

There total 9 articles about Pyrido[3,4-D]pyridazin-1(2H)-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: 90.0%

: 1447588-22-8
methyl 3-(dibromomethyl)isonicotinate

: 25381-41-3
pyrido[3,4-d]pyridazin-1(2H)-one

Guidance literature:: With hydrazine hydrate; In methanol; for 5h; Reflux;
DOI:10.1016/j.tet.2013.06.029

Reference yield: 81.0%

: 156638-77-6
2,3-dihydro-3-hydroxy-2-phenyl-1H-pyrrolo<3,4-c>pyridin-1-one

: 25381-41-3
pyrido[3,4-d]pyridazin-1(2H)-one

Guidance literature:: With hydrazine; at 25 - 120 ℃; for 2h;
DOI:10.1021/acs.jmedchem.1c01161

Reference yield:

: 55-22-1
pyridine-4-carboxylic acid

: 25381-41-3
pyrido[3,4-d]pyridazin-1(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1,1'-carbonyldiimidazole / 0.5 h / 50 °C

1.2: 20 h / 50 °C

2.1: n-butyllithium / tetrahydrofuran / 0.58 h / -70 - 0 °C / Inert atmosphere

2.2: -70 - 20 °C / Inert atmosphere

3.1: hydrazine / water / 2 h / Inert atmosphere; Reflux

With n-butyllithium; 1,1'-carbonyldiimidazole; hydrazine; In tetrahydrofuran; water;
DOI:10.1021/acs.jmedchem.5b01538