| Identification | Back Directory | [Name]
METHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE | [CAS]
372118-01-9 | [Synonyms]
3-Methoxycarbonyl-4,6-dichloropyridazine
4,6-Dichloro-4-(methoxycarbonyl)pyridazine
METHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLAT
METHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE
6-dichloro-pyridazine-3-carboxylic acid methyl ester
4,6-Dichloro-pyridazine-3-carboxylic acid Methyl ester
3-Pyridazinecarboxylic acid, 4,6-dichloro-, methyl ester
METHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE ISO 9001：2015 REACH | [Molecular Formula]
C6H4Cl2N2O2 | [MDL Number]
MFCD09953612 | [MOL File]
372118-01-9.mol | [Molecular Weight]
207.02 |
| Chemical Properties | Back Directory | [Boiling point ]
345.2±37.0 °C(Predicted) | [density ]
1.503±0.06 g/cm3(Predicted) | [refractive index ]
1.552 | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO (Slightly), Methanol (Very Slightly) | [form ]
powder | [pka]
-2.30±0.10(Predicted) | [color ]
Light beige/light brown crystalline | [InChI]
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3 | [InChIKey]
MZEVRGMQXLNKEZ-UHFFFAOYSA-N | [SMILES]
C1(C(OC)=O)=NN=C(Cl)C=C1Cl |
| Hazard Information | Back Directory | [Uses]
Methyl 4,6-dichloropyridazine-3-carboxylate(372118-01-9) is an organic intermediate commonly used in laboratory research and development as a raw material for organic synthesis.
| [Synthesis]
Step 3 Synthesis of methyl 4,6-dichloropyridazine-3-carboxylate: 4,6-dihydroxypyridazine-3-carboxylic acid methyl ester (10.5 g, 61.7 mmol) was mixed with phosphorous trichloride (70 mL), heated to 95 °C, and the reaction was carried out for 5 hours. After completion of the reaction, the excess phosphorous trichloride was evaporated under reduced pressure. The crude product was slowly poured into ice water (250 mL) and extracted with ethyl acetate (3 x 100 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (100-200 mesh, 30% ethyl acetate in hexane solution as eluent) to afford methyl 4,6-dichloropyridazine-3-carboxylate (9.2 g, 72% yield) as an off-white solid.LC-MS: 207.0 [M + H]+. | [References]
[1] Patent: US2013/178478, 2013, A1. Location in patent: Paragraph 0301;0302
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 6, p. 2683 - 2691
[3] Patent: US2004/77653, 2004, A1. Location in patent: Page 18 |
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