Pyrido[3,4-d]pyridazine

Base Information

• Chemical Name: Pyrido[3,4-d]pyridazine
• CAS No.: 253-53-2
• Molecular Formula: C₇H₅N₃
• Molecular Weight: 131.137
• Hs Code.: 2933990090
• NSC Number: 526540
• UNII: UE3Q3PP4G2
• DSSTox Substance ID: DTXSID00179942
• Nikkaji Number: J517.888F
• Wikidata: Q83050441
• Mol file: 253-53-2.mol

Synonyms:Pyrido[3,4-d]pyridazine;Pyrido(3,4-d)pyridazine;253-53-2;CCRIS 7340;UE3Q3PP4G2;NSC-526540;c12ccncc1cnnc2;NSC526540;UNII-UE3Q3PP4G2;SCHEMBL89121;DTXSID00179942;AKOS006276636;NSC 526540;LS-188117

Chemical Property of Pyrido[3,4-d]pyridazine

Chemical Property:

• Vapor Pressure: 1.34E-05mmHg at 25°C
• Melting Point: 174 °C(Solv: benzene (71-43-2))
• Boiling Point: 378.8°Cat760mmHg
• PKA: 3.60±0.10(Predicted)
• Flash Point: 193.9°C
• PSA: 38.67000
• Density: 1.27g/cm³
• LogP: 1.02480
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.048347172
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Pyrido[3,4-d]pyridazine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=CN=NC=C21

Technology Process of Pyrido[3,4-d]pyridazine

There total 2 articles about Pyrido[3,4-d]pyridazine 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: 26.0%

pyridine-4-carbaldehyde (872-85-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → pyrido(3,4-d)pyridazine (253-53-2)

Guidance literature:

pyridine-4-carbaldehyde; With n-butyllithium; Bis-(2-methoxyethyl)amine; In tetrahydrofuran; hexane; at -25 ℃; for 3.75h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 0 ℃; Inert atmosphere;

With ammonium chloride; hydrazine hydrate; In tetrahydrofuran; hexane; water; at 0 - 20 ℃;

DOI:10.1021/ol501254h

Reference yield:

→ pyrido(3,4-d)pyridazine (253-53-2)

Guidance literature:

3,4-Diformyl-pyridin, Hydrazin;

Reference yield: 19.0%

pyrido(3,4-d)pyridazine (253-53-2) → pyrido<3,4-d>pyridazine 3-oxide (162022-86-8) + pyrido<3,4-d>pyridazine 2-oxide (162022-85-7) + pyrido<3,4-d>pyridazine 6-oxide (162022-87-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 24h;

DOI:10.1248/bpb.18.363

upstream raw materials:

pyridine-4-carbaldehyde

N,N-dimethyl-formamide

Downstream raw materials:

pyrido<3,4-d>pyridazine 3-oxide

pyrido<3,4-d>pyridazine 2-oxide

pyrido<3,4-d>pyridazine 6-oxide

4-chloropyrido<3,4-d>pyridazine

Refernces