Ethyl 4-oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-carboxylate

Base Information

• Chemical Name: Ethyl 4-oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-carboxylate
• CAS No.: 156335-37-4
• Molecular Formula: C₁₀H₁₀N₂O₃
• Molecular Weight: 206.201
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50435646,DTXSID501215918
• Mol file: 156335-37-4.mol

Synonyms:156335-37-4;ETHYL 4-OXO-1,4-DIHYDROPYRROLO[1,2-B]PYRIDAZINE-3-CARBOXYLATE;ethyl 4-oxo-1H,4H-pyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-hydroxypyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate;1260849-93-1;SCHEMBL1396239;SCHEMBL9920357;DTXSID50435646;LMVYZQFAEMMWCS-UHFFFAOYSA-N;DTXSID501215918;MFCD13195447;AKOS015949468;PB33178;AS-33777;CS-0049453;CS-0530582;FT-0684896;EN300-7395760;W-205800;ethyl 1,4-dihydro-4-oxopyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1,4-dihydropyrrolo[1,2,b]pyridazin-3-carboxylate

Chemical Property of Ethyl 4-oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 332.446oC at 760 mmHg
• Flash Point: 154.858oC
• PSA: 63.57000
• Density: 1.354g/cm3
• LogP: 0.80430
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-Oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CNN2C=CC=C2C1=O

Technology Process of Ethyl 4-oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-carboxylate

There total 3 articles about Ethyl 4-oxo-1,4-dihydropyrrolo[1,2-B]pyridazine-3-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: 58.0%

diethyl (1-pyrrolyl)aminomethylenepropanedioate (156335-36-3) → ethyl 1,4-dihydro-4-oxopyrrolo<1,2-b>pyridazine-3-carboxylate (156335-37-4)

Guidance literature:

In various solvent(s); at 220 ℃; for 2h;

DOI:10.1002/jhet.5570310228

Reference yield:

1H-pyrrol-1-amine (765-39-9) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 1,4-dihydro-4-oxopyrrolo<1,2-b>pyridazine-3-carboxylate (156335-37-4)

Guidance literature:

In diphenylether; at 125 - 220 ℃; for 4h;

Reference yield:

diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 1,4-dihydro-4-oxopyrrolo<1,2-b>pyridazine-3-carboxylate (156335-37-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / 0.75 h / 125 °C

2: 58 percent / various solvent(s) / 2 h / 220 °C

In various solvent(s);

DOI:10.1002/jhet.5570310228

upstream raw materials:

diethyl (1-pyrrolyl)aminomethylenepropanedioate

diethyl 2-ethoxymethylenemalonate

1H-pyrrol-1-amine

Downstream raw materials:

1,4-dihydro-4-oxopyrrolo<1,2-b>pyridazine-3-carboxylic acid

4-ethoxypyrrolo<1,2-b>pyridazine-3-carboxylic acid

pyrrolo[1,2-b]pyridazin-4(1H)-one

N-(4-(5-bromopyrrolo[1,2-b]pyridazin-4-yloxy)-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide