Ethyl 3-methylpyridazine-4-carboxylate

Base Information

• Chemical Name: Ethyl 3-methylpyridazine-4-carboxylate
• CAS No.: 98832-80-5
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00540653
• Nikkaji Number: J417.325B
• Wikidata: Q82416725
• Mol file: 98832-80-5.mol

Synonyms:98832-80-5;ETHYL 3-METHYLPYRIDAZINE-4-CARBOXYLATE;ETHYL 3-METHYL-PYRIDAZINE-4-CARBOXYLATE;4-Pyridazinecarboxylic acid, 3-methyl-, ethyl ester;MFCD11506291;3-methyl-pyridazine-4-carboxylic acid ethyl ester;SCHEMBL3598344;DTXSID00540653;TVAAFELLTHKOFM-UHFFFAOYSA-N;YDA83280;AKOS006324385;CS-W020487;PB32968;NS-01333;SY028631;P11140;InChI=1/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H

Chemical Property of Ethyl 3-methylpyridazine-4-carboxylate

Chemical Property:

• PSA: 52.08000
• LogP: 0.96170
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

ethyl3-methylpyridazine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=NC=C1)C

Technology Process of Ethyl 3-methylpyridazine-4-carboxylate

There total 9 articles about Ethyl 3-methylpyridazine-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: 71.0%

6-ethoxy-4-ethoxycarbonyl-1-methoxycarbonyl-3-methyl-1,4,5,6-tetrahydropyridazine (136411-55-7) → ethyl 3-methylpyridazine-4-carboxylic acid (98832-80-5)

Guidance literature:

With bromine; acetic acid; at 17 ℃; for 24h;

Reference yield: 45.0%

3-oxo-2-(2-oxoethyl)butyric acid ethyl ester (1071783-27-1) → ethyl 3-methylpyridazine-4-carboxylic acid (98832-80-5)

Guidance literature:

3-oxo-2-(2-oxoethyl)butyric acid ethyl ester; With hydrazine hydrate; In ethanol; at 0 - 20 ℃; for 2h;

With acetic acid; sodium nitrite; In ethanol; water; for 2.5h;

Reference yield: 2.0%

3-methylpyridazine (1632-76-4) + 2-oxo-propionic acid ethyl ester (617-35-6) → ethyl 3-methylpyridazine-4-carboxylic acid (98832-80-5) + diethyl 3-methyl-4,5-pyridazinedicarboxylate (98832-83-8) + ethyl 3-methyl-5-pyridazinecarboxylate (42602-52-8)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; In dichloromethane; water; at -5 - 0 ℃; Product distribution; investigation of the influence of various reaction conditions;

DOI:10.1016/S0040-4020(01)96521-4

upstream raw materials:

3-methylpyridazine

2-oxo-propionic acid ethyl ester

6-ethoxy-4-ethoxycarbonyl-1-methoxycarbonyl-3-methyl-1,4,5,6-tetrahydropyridazine

3-oxo-2-(2-oxoethyl)butyric acid ethyl ester

Downstream raw materials:

pyrido<4,3-c>pyridazin-5(6H)-one

6-(2,4-difluorophenyl)pyrido<4,3-c>pyridazin-5(6H)-one

6-(2,4-dichlorophenyl)pyrido<4,3-c>pyridazin-5(6H)-one

6-(3-chloro-4-methoxyphenyl)pyrido<4,3-c>pyridazin-5(6H)-one