| Identification | More | [Name]
6-FLUORONICOTINIC ACID METHYL ESTER | [CAS]
1427-06-1 | [Synonyms]
6-FLUORONICOTINIC ACID METHYL ESTER
METHYL6-FLUORONICOTINATE
Methyl 6-fluoropyridine-3-carboxylate
3-Pyridinecarboxylic acid, 6-fluoro-, methyl ester | [Molecular Formula]
C7H6FNO2 | [MDL Number]
MFCD03095098 | [Molecular Weight]
155.13 | [MOL File]
1427-06-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
48-52 °C | [Boiling point ]
210.3±20.0 °C(Predicted) | [density ]
1.243±0.06 g/cm3(Predicted) | [Fp ]
99 °C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Solid | [pka]
-2.47±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3 | [InChIKey]
HLYBWNNPVXFCPZ-UHFFFAOYSA-N | [SMILES]
C1=NC(F)=CC=C1C(OC)=O | [CAS DataBase Reference]
1427-06-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [WGK Germany ]
3 | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of methyl 6-fluoronicotinate: 6-fluoronicotinate (255 mg, 1.32 mmol) was dissolved in methanol (5 mL) at room temperature, followed by the addition of (trimethylmethylsilyl) diazomethane (4.0 mL, 2 M of ether solution, 8.0 mmol). The reaction mixture was stirred at room temperature for 30 min and then concentrated. The resulting methyl 6-fluoronicotinate (129 mg, 47% yield) was used without further purification. Its nuclear magnetic resonance hydrogen spectrum (1H NMR, 600 MHz, DMSO-d6) data were as follows: δ 8.79 (d, J=2.6 Hz, 1H), 8.47 (td, J=7.9,2.6 Hz, 1H), 7.35 (ddd, J=8.5,2.6,0.6 Hz, 1H), 3.88 (s, 3H). The calculated value for electrospray ionization mass spectrometry (ESIMS) was 156.0 (M++H) and the measured value was 156.1 (M++H). | [References]
[1] Patent: WO2007/2248, 2007, A2. Location in patent: Page/Page column 76 |
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