Methyl Pyridazine-4-carboxylate

Base Information

• Chemical Name: Methyl Pyridazine-4-carboxylate
• CAS No.: 34231-77-1
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933990090
• European Community (EC) Number: 851-018-8
• UNII: R2U2BP7FKV
• DSSTox Substance ID: DTXSID30498310
• Nikkaji Number: J293.838C
• Wikidata: Q69756831
• Mol file: 34231-77-1.mol

Synonyms:Methyl Pyridazine-4-carboxylate;34231-77-1;PYRIDAZINE-4-CARBOXYLIC ACID METHYL ESTER;4-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER;methylpyridazine-4-carboxylate;methyl 4-pyridazinecarboxylate;MFCD09953488;R2U2BP7FKV;4-Methoxycarbonylpyridazine;SCHEMBL1421640;DTXSID30498310;IJFLWNYKGMQQOW-UHFFFAOYSA-N;AMY24958;BCP22435;AKOS015854403;Methyl pyridazine-4-carboxylate, 97%;AC-4414;CS-W003697;PB31452;SY004472;FT-0717698;EN300-254652;A875064;J-522632

Chemical Property of Methyl Pyridazine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 64-67℃
• Refractive Index: 1.513
• Boiling Point: 281.273 °C at 760 mmHg
• Flash Point: 123.91 °C
• PSA: 52.08000
• Density: 1.214 g/cm³
• LogP: 0.26320
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl pyridazine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CN=NC=C1
• Uses: It is used to produce 4-Pyridazincarbohydroxamsaeure by heating and requires a reagent hydroxylammoniumchloride and Na2CO3. Meanwhile, it needs solvent methanol.

Technology Process of Methyl Pyridazine-4-carboxylate

There total 4 articles about Methyl Pyridazine-4-carboxylate 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: 30.0%

methanol (67-56-1) + pyridazine-4-carboxylic acid (50681-25-9) → methyl pyridazine-4-carboxylate (34231-77-1)

Guidance literature:

With sulfuric acid; at 20 ℃; Inert atmosphere;

DOI:10.1039/c5nj03000e

Reference yield: 4.0%

nitromethane (75-52-5) + pyridazine-4-carbaldehyde (50901-42-3) → methyl pyridazine-4-carboxylate (34231-77-1) + Methyl 4-pyridazinyl ketone (50901-46-7)

Guidance literature:

piperidine; In methanol; for 20h; Product distribution; Ambient temperature;

Reference yield:

pyridazine-4-carboxylic acid (50681-25-9) + diazomethyl-trimethyl-silane (18107-18-1) → methyl pyridazine-4-carboxylate (34231-77-1)

Guidance literature:

With methanol; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

pyridazine-4-carboxylic acid

sodium methylate

nitromethane

pyridazine-4-carbaldehyde

Downstream raw materials:

5-phenylpyridazine-4-carboxylic acid

4-hydroxymethylpyridazine

3-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-1-(pyridazin-4-yl)-3-o-tolylpropan-1-one

tert-butyl 4-(4-(3-oxo-3-(pyridazin-4-yl)-1-o-tolylpropyl)phenyl)piperidine-1-carboxylate

Refernces

• 1、 -. "HERBICIDAL COMPOUNDS". Page/Page column 57; 58. . Retrieved 2020/06/05.
• 2、 Veronese, Lorenzo,Procopio, Elsa Quartapelle,De Rossi, Francesca,Brown, Thomas M.,Mercandelli, Pierluigi,Mussini, Patrizia,D'Alfonso, Giuseppe,Panigati, Monica. "New dinuclear hydrido-carbonyl rhenium complexes designed as photosensitizers in dye-sensitized solar cells". . p. 2910 - 2919. Retrieved 2016/03/22.