2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one

Base Information

• Chemical Name: 2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one
• CAS No.: 122001-78-9
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.15100
• Hs Code.: 2933990090
• European Community (EC) Number: 832-581-9
• DSSTox Substance ID: DTXSID40409432
• Nikkaji Number: J795.621E
• Wikidata: Q82215262
• Mol file: 122001-78-9.mol

Synonyms:122001-78-9;2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one;6,7-Dihydro-2H-cyclopenta[c]pyridazin-3(5H)-one;2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one;6,7-Dihydro-5H-cyclopenta[c]pyridazin-3-ol;2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;3H-Cyclopenta[c]pyridazin-3-one, 2,5,6,7-tetrahydro-;2,5,6,7-TETRAHYDRO-CYCLOPENTA[C]PYRIDAZIN-3-ONE;MFCD07757617;2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one(SALTDATA: FREE);SCHEMBL20092675;DTXSID40409432;HZLVYABRXDPPSA-UHFFFAOYSA-N;AKOS005621180;AKOS023410365;AS-30198;SY180609;CS-0075473;EN300-60243;F1967-2558;F8888-0981;Z935132918

Chemical Property of 2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one

Chemical Property:

• Melting Point: 197-199 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• PKA: 11.14±0.20(Predicted)
• PSA: 46.01000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 0.67090
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 240

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,5,6,7-Tetrahydro-cyclopenta[c]pyridazin-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC(=O)NN=C2C1

Technology Process of 2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one

There total 6 articles about 2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one 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: 86.7%

dihydrocyclopentanopyridazinone (94767-50-7) → 6,7-dihydro-5H-cyclopenta[e]-2H-pyridazin-3-one (122001-78-9)

Guidance literature:

With copper dichloride; In acetonitrile; for 1h; Heating;

Reference yield: 60.0%

Morpholin-4-yl-(2-oxo-cyclopentyl)-acetic acid; compound with morpholine → 6,7-dihydro-5H-cyclopenta[e]-2H-pyridazin-3-one (122001-78-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Heating;

DOI:10.1002/ardp.19893220602

Reference yield:

ethyl (2-oxocyclopentyl)acetate (20826-94-2) → 6,7-dihydro-5H-cyclopenta[e]-2H-pyridazin-3-one (122001-78-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 62.3 percent / hydrazine hydrate / ethanol / 1 h / Heating

2: 86.7 percent / CuCl₂ / acetonitrile / 1 h / Heating

With hydrazine hydrate; copper dichloride; In ethanol; acetonitrile;

upstream raw materials:

dihydrocyclopentanopyridazinone

cyclopentanone

ethyl (2-oxocyclopentyl)acetate

Downstream raw materials:

3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine

Refernces

• 1、 Suzuki, Koichi,Senoh, Akihiro,Ueno, Kazunori. "Simple synthesis of ring-fused pyridazin-3-ones". . p. 723 - 731. Retrieved 2007/10/03.