| Identification | Back Directory | [Name]
METHYL 2 6-DICHLOROPYRIDINE-3-CARBOXYLA& | [CAS]
65515-28-8 | [Synonyms]
2,6-two chloroMethyl nicotinate
Methyl2,6-dichloronicotinate,97%
Methyl 2,6-Dichloronicotinate >
methyl 2,6-dichloronicotinate (en)
METHYL 2 6-DICHLOROPYRIDINE-3-CARBOXYLA&
Methyl 2,6-dichloropyridin-3-carboxylate
Methyl 2,6-Dichloro-3-pyridinecarboxylate
2,6-Dichloropyridine-3-carboxylic acid methyl ester
3-Pyridinecarboxylic acid, 2,6-dichloro-, methyl ester
2,6-Dichloro-2,3-dihydro-pyridine-3-carboxylic acid methyl ester | [Molecular Formula]
C7H5Cl2NO2 | [MDL Number]
MFCD07369794 | [MOL File]
65515-28-8.mol | [Molecular Weight]
206.027 |
| Chemical Properties | Back Directory | [Melting point ]
56-60 °C(lit.)
| [Boiling point ]
270.5±35.0 °C(Predicted) | [density ]
1.426±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
-4.55±0.10(Predicted) | [color ]
White to Light yellow | [Sensitive ]
Air Sensitive | [λmax]
276nm(lit.) | [InChI]
InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3 | [InChIKey]
IFVVGOJYWCHRCT-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(Cl)=CC=C1C(OC)=O |
| Hazard Information | Back Directory | [Uses]
Replacement of chlorides with fluorides using anhydrous nucleophilic fluoride salts generated from potassium fluoride and an arene transfer agent. | [Synthesis]
General procedure for the synthesis of methyl 2,6-dichloronicotinate from methanol and 2,6-dichloronicotinic acid: to a solution of 2,6-dichloronicotinic acid (5.0 g, 26 mmol) in methanol (100 mL) was slowly added thionyl chloride (0.1 mL). The reaction mixture was heated to reflux and kept reacting overnight. Upon completion of the reaction, the solvent was removed by rotary evaporator. The residue was dissolved in ethyl acetate and washed sequentially with saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic phase was dried with anhydrous sodium sulfate, filtered and concentrated to give methyl 2,6-dichloronicotinate (5.37 g, 100% yield) as a white solid.1H NMR (300 MHz, CDCl3) δ 8.13 (d, J=8.1 Hz, 1H), 7.33 (d, J=8.1 Hz, 1H), 3.94 (s, 3H). | [References]
[1] Patent: US2005/119251, 2005, A1. Location in patent: Page/Page column 20; 22
[2] Patent: WO2006/14168, 2006, A1. Location in patent: Page/Page column 47
[3] Patent: WO2008/16643, 2008, A2. Location in patent: Page/Page column 233
[4] Patent: WO2006/88836, 2006, A2. Location in patent: Page/Page column 78
[5] Patent: WO2006/88920, 2006, A1. Location in patent: Page/Page column 133-134 |
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