Pyrido[2,3-d]pyridazin-8(7H)-one

Base Information

• Chemical Name: Pyrido[2,3-d]pyridazin-8(7H)-one
• CAS No.: 15375-79-8
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.136
• European Community (EC) Number: 852-702-9
• DSSTox Substance ID: DTXSID40570590
• Wikidata: Q82458094
• Mol file: 15375-79-8.mol

Synonyms:Pyrido[2,3-d]pyridazin-8(7H)-one;15375-79-8;7H,8H-pyrido[2,3-d]pyridazin-8-one;7H-PYRIDO[2,3-D]PYRIDAZIN-8-ONE;pyrido[2,3-d]pyridazin-8-ol;SCHEMBL3234181;DTXSID40570590;SFNYPXFZPRSDTB-UHFFFAOYSA-N;MFCD18253740;AKOS026729519;AS-42423;CS-0182552;EN300-80962;Z1224947968

Chemical Property of Pyrido[2,3-d]pyridazin-8(7H)-one

Chemical Property:

• Melting Point: 300 °C(Solv: water (7732-18-5))
• PKA: 10.82±0.20(Predicted)
• PSA: 58.90000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 0.73040
• XLogP3: 0
• 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:

99% ^*data from raw suppliers

Pyrido[2,3-D]pyridazin-8(7H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=O)NN=C2)N=C1

Technology Process of Pyrido[2,3-d]pyridazin-8(7H)-one

There total 6 articles about Pyrido[2,3-d]pyridazin-8(7H)-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%

methyl 3-(dibromomethyl)pyridine-2-carboxylate (1029720-23-7) → pyrido[2,3-d]pyridazin-8(7H)-one (15375-79-8)

Guidance literature:

With hydrazine hydrate; In methanol; for 5h; Reflux;

DOI:10.1016/j.tet.2013.06.029

Reference yield: 63.0%

5,6-dihydro-5-hydroxy-6-phenyl-7H-pyrrolo<3,4-b>pyridin-7-one (122706-49-4) → pyrido[2,3-d]pyridazin-8(7H)-one (15375-79-8)

Guidance literature:

With hydrazine hydrate; for 2h; Heating;

DOI:10.1016/0040-4020(95)01109-9

Reference yield:

3-methyl-pyridine-2-carboxylic acid (4021-07-2) → pyrido[2,3-d]pyridazin-8(7H)-one (15375-79-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / Reflux

2: N-Bromosuccinimide / tetrachloromethane / 16 h / Reflux

3: hydrazine hydrate / methanol / 5 h / Reflux

With N-Bromosuccinimide; sulfuric acid; hydrazine hydrate; In methanol; tetrachloromethane;

DOI:10.1016/j.tet.2013.06.029

upstream raw materials:

5,6-dihydro-5-hydroxy-6-phenyl-7H-pyrrolo<3,4-b>pyridin-7-one

methyl 3-(dibromomethyl)pyridine-2-carboxylate

3-methyl-pyridine-2-carboxylic acid

3-methyl-pyridine-2-carboxylic acid methyl ester