Pyridazine

Base Information

• Chemical Name: Pyridazine
• CAS No.: 289-80-5
• Molecular Formula: C4H4N2
• Molecular Weight: 80.0892
• Hs Code.: 29339980
• European Community (EC) Number: 206-025-5
• NSC Number: 90792
• UNII: 449GLA0653
• DSSTox Substance ID: DTXSID7059777
• Nikkaji Number: J2.567D
• Wikipedia: Pyridazine
• Wikidata: Q420238
• Metabolomics Workbench ID: 54293
• ChEMBL ID: CHEMBL15719
• Mol file: 289-80-5.mol

Synonyms:1,2-diazabenzene;pyridazine

Chemical Property of Pyridazine

Chemical Property:

• Appearance/Colour: Clear yellowish-brown liquid
• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: -8 °C(lit.)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 207.999 °C at 760 mmHg
• PKA: 2.24(at 20℃)
• Flash Point: 85 °C
• PSA: 25.78000
• Density: 1.055 g/cm³
• LogP: 0.47660
• Storage Temp.: Refrigerator
• Water Solubility.: MISCIBLE
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.037448136
• Heavy Atom Count: 6
• Complexity: 30.5

Purity/Quality:

99% ^*data from raw suppliers

Pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NN=C1
• Description: Pyridazine, sometimes called 1,2-diazine, is a six-membered ring containing two adjacent nitrogen atoms. Pyridazine is a privileged structure in medicinal chemistry and can be used as an isosteric replacement of phenyl or heteroaromatic rings. Pyridazines can improve the physiochemical properties of drug molecules by increasing their water solubility, participating as hydrogen bond acceptors, and have a high capacity to complex with targets due to their dipole moment. Pyridazine confers bioavailability, especially to the CNS, and can reduce toxicity. Pyridazine is a part of several drug molecules, and the pyradzine pharmacophore has led to a variety of pharmacologically active compounds.
• Uses: Pyrrolo[1,2-b]pyridazine 1 is a N-bridgehead aromatic heterocycle containing two nitrogen atoms, is obtained by the condensation of pyridazine and pyrrole.

Technology Process of Pyridazine

There total 89 articles about 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: 99.0%

s-Tetrazine (290-96-0) + calcium carbide (75-20-7) → 1,2-diazine (289-80-5)

Guidance literature:

With water; In 1,4-dioxane; at 100 ℃; for 120h; Sealed tube;

DOI:10.1002/asia.202100562

Reference yield: 94.0%

morpholine (110-91-8,99108-56-2) + malononitrile (109-77-3) → 1,2-diazine (289-80-5) + 3-amino-2-(2,6-dimethylphenyl)-2,8-dihydro-6H-pyrano[3,4-c]pyridazine-4-carbonitrile hydrochloride (406698-25-7)

Guidance literature:

In dimethyl sulfoxide;

Reference yield: 91.0%

morpholine (110-91-8,99108-56-2) + malononitrile (109-77-3) → 1,2-diazine (289-80-5) + 3-amino-2-phenyl-2,8-dihydro-6H-pyrano[3,4-c]pyridazine-4-carbonitrile (406698-15-5)

Guidance literature:

In dimethyl sulfoxide; ethyl acetate;

upstream raw materials:

furan

acetic anhydride

3-chloropyridazine

3,6-dichlorpyridazine

Downstream raw materials:

4-phenylpyridazine

4,5-diphenylpyridazine

3-phenylpyridazine

pyridazinyl-N-oxide

Refernces

An efficient and selective route to hybrid trifluoromethyl-substituted γ-lactones or fused nitrogen derivatives via cascade reactions

10.1016/j.tetlet.2011.09.093

The study presents an efficient and selective method for synthesizing hybrid trifluoromethyl-substituted γ-lactones and fused nitrogen heterocycles through cascade reactions. The chemicals used include pyridazine derivatives, which exhibit a range of biological effects such as antiviral, anticancer, and antibacterial properties, and fluorine-containing compounds that are significant in the development of anti-HIV, antiviral, anticancer, antibacterial, and antifungal medicines. The purpose of these chemicals is to combine their biological potentials by synthesizing a hybrid pyridazine-fluorine moiety. The reaction pathway involves the use of diazinium ylides, which react with 2-(trifluoromethyl) acrylic acid to produce a new class of γ-lactones with nitrogen heterocyclic skeletons, demonstrating both stereoselectivity and stereospecificity depending on the nitrogen heterocycle used. The study also explores the reaction mechanisms and structures of the resulting compounds, providing a novel route for obtaining hybrid fluorine-nitrogen heterocycles with potential applications in medicinal chemistry.

Pyridazine derivatives and related compounds part 10. Reactions of 3-diazopyrazolo[3,4-c]pyridazine with reactive methylene compounds and other groups

10.3987/COM-03-9960

The study investigates the synthesis and transformations of 3-diazopyrazolo[3,4-c]pyridazine, a heterocyclic diazo compound. It reacts with various reactive methylene compounds, such as ethyl cyanoacetate, diethyl malonate, and cyclohexane-1,3-dione, to form corresponding hydrazones and condensed 1,2,4-triazines. The diazo compound also undergoes azo coupling with aromatic amines and naphthols to produce arylazo derivatives. Additionally, it participates in cycloaddition reactions with dipolarophiles like phenyl isothiocyanate and dimethyl acetylenedicarboxylate, yielding cycloaddition products. The study explores the synthetic potential of fused pyridazine systems and highlights the diverse reactivity of the diazo compound, with products characterized by spectroscopic methods.

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