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| | 4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE Basic information |
| Product Name: | 4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE | | Synonyms: | 4,5-dichloro-2-methyl-3(2h)-pyridazinon;4,5-DICHLORO-2-METHYLPYRIDAZIN-3[2H]-ONE;4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE;4,5-DICHLORO-2-METHYLPYRIDAZINE-3(2H)-ONE;4,5-DICHLORO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE;4,5-DICHLORO-2-METHYL-2H-PYRIDAZIN-3-ONE;4,5-DICHLORO-2-METHYL-3(2H)-PYRIDAZINONE;AKOS B029262 | | CAS: | 933-76-6 | | MF: | C5H4Cl2N2O | | MW: | 179 | | EINECS: | | | Product Categories: | Building Blocks;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyridazines;Halides;Pyrazines, Pyrimidines & Pyridazines;Pyrazines, Pyrimidines & Pyridazines | | Mol File: | 933-76-6.mol |  |
| | 4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE Chemical Properties |
| Melting point | 87-91 °C(lit.) | | Boiling point | 197.2±50.0 °C(Predicted) | | density | 1.55±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | soluble in Ethanol | | form | powder to crystal | | pka | -3.57±0.20(Predicted) | | color | White to Orange to Green | | InChI | InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3 | | InChIKey | ACKBTCUMGAHRIE-UHFFFAOYSA-N | | SMILES | C1(=O)N(C)N=CC(Cl)=C1Cl |
| Hazard Codes | Xn | | Risk Statements | 22-36/37/38-43 | | Safety Statements | 26-36 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | RTECS | UR6188000 | | HazardClass | 6.1 | | HS Code | 29339980 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | 4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE Usage And Synthesis |
| Chemical Properties | Off-white to yellow low crystalline powder | | Uses | 4,5-Dichloro-2-methyl-3(2H)-pyridazinone can be used in the synthesis of 4-amino-3(2H)-pyridazinones and 5-amino-3(2H)-pyridazinones via reaction with N-benzylaminoethanol. | | Definition | ChEBI: 4,5-Dichloro-2-methyl-3(2H)-pyridazinone is a pyridazinone. | | Synthesis | Step 1: A round bottom flask was charged with 4,5-dichloropyridazin-3(2H)-one (10.0 g, 60.6 mmol), potassium carbonate (16.8 g, 121.2 mmol), iodomethane (4.0 mL, 64.3 mmol) and acetonitrile (80 mL). The reaction mixture was heated to reflux for 12 hours and then cooled to room temperature. After completion of the reaction, the mixture was filtered and the filtrate was concentrated. The residue was purified by column chromatography (dichloromethane as eluent) to afford 4,5-dichloro-2-methylpyridazin-3-one 8.21 g (76% yield). The product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 8.18 (s, 1H), 3.70 (s, 3H); mass spectrum (m/z) = 179 ([M+H]+). | | References | [1] Patent: WO2009/142732, 2009, A2. Location in patent: Page/Page column 61-62
[2] Patent: WO2011/15629, 2011, A1. Location in patent: Page/Page column 46; 47
[3] Journal of Heterocyclic Chemistry, 1996, vol. 33, # 6, p. 1579 - 1582
[4] Patent: WO2013/50421, 2013, A1. Location in patent: Page/Page column 37
[5] Journal of the Korean Chemical Society, 2014, vol. 58, # 1, p. 140 - 144 |
| | 4,5-DICHLORO-2-METHYLPYRIDAZIN-3-ONE Preparation Products And Raw materials |
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