Ethyl 3-chloro-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate

Base Information

• Chemical Name: Ethyl 3-chloro-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate
• CAS No.: 39715-99-6
• Molecular Formula: C₁₀H₁₂ClN₃O₂
• Molecular Weight: 241.677
• Hs Code.: 2933990090
• European Community (EC) Number: 895-308-2
• DSSTox Substance ID: DTXSID70503336
• Nikkaji Number: J3.234.817C
• Wikidata: Q82357061
• Mol file: 39715-99-6.mol

Synonyms:39715-99-6;ETHYL 3-CHLORO-7,8-DIHYDROPYRIDO[4,3-C]PYRIDAZINE-6(5H)-CARBOXYLATE;6-N-CARBETHOXY-3-CHLORO-7,8-DIHYDRO-5H-PYRIDO[4,3-C]PYRIDAZINE;ethyl 3-chloro-5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate;MFCD07779187;ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate;SCHEMBL11086505;DTXSID70503336;VJSCICINBIBEOF-UHFFFAOYSA-N;AKOS027327780;BS-42869;SY188888;CS-0183668;EN300-78445;Z1205272362;3-chloro-5,6,7,8-tetrahydro-6-pyrido[4,3-c]pyridazinecarboxylic acid ethyl ester

Chemical Property of Ethyl 3-chloro-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate

Chemical Property:

• Melting Point: 105-107 °C(Solv: ethanol (64-17-5))
• Boiling Point: 424.3±45.0 °C(Predicted)
• PKA: 1.44±0.20(Predicted)
• PSA: 55.32000
• Density: 1.343±0.06 g/cm3(Predicted)
• LogP: 1.58250
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.0618043
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC2=NN=C(C=C2C1)Cl

Technology Process of Ethyl 3-chloro-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-carboxylate

There total 2 articles about Ethyl 3-chloro-7,8-dihydropyrido[4,3-C]pyridazine-6(5H)-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: 92.0%

ethyl 3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate (39716-48-8) → ethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate (39715-99-6)

Guidance literature:

With triethylamine; trichlorophosphate; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1055/s-0033-1339325

Reference yield:

→ ethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate (39715-99-6)

Guidance literature:

6-Carbethoxy-5,6,7,8-tetrahydro-3(2H)-pyrido<4,3-c>pyridazinon, POCl3;

Reference yield: 61.0%

ethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate (39715-99-6) → ethyl 3-hydrazino-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate (39715-29-2)

Guidance literature:

With hydrazine hydrate; lithium chloride; In water; at 120 ℃; for 5h; Autoclave;

DOI:10.1055/s-0033-1339325

upstream raw materials:

ethyl 3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate

Downstream raw materials:

ethyl 3-hydrazino-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate

5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine