| Identification | Back Directory | [Name]
Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate) | [CAS]
217448-86-7 | [Synonyms]
Rufinamide USP RC B
Rufinamide EP Impurity B
Rufinamide 4-Methyl Ester
RufinaMide Related CoMpound B
Rufinamide Methyl Ester Analog
Rufinamide USP Related Compound B
Methyl 1-(2,6-Difluorobenzyl)-1H-1,
methyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate
Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate
Rufinamide Related Compound B (Rufinamide Methyl Ester Analog)
1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxylic acid methyl ester
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(2,6-difluorophenyl)methyl]-, methyl ester
Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)
Rufinamide Related Compound B (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate) (1606423) | [EINECS(EC#)]
917-714-1 | [Molecular Formula]
C11H9F2N3O2 | [MDL Number]
MFCD16659092 | [MOL File]
217448-86-7.mol | [Molecular Weight]
253.2 |
| Chemical Properties | Back Directory | [Melting point ]
140℃ (methanol ) | [Boiling point ]
374.8±52.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
-1.75±0.12(Predicted) | [color ]
White to Off-White | [Major Application]
pharmaceutical (small molecule) | [InChI]
InChI=1S/C11H9F2N3O2/c1-18-11(17)10-6-16(15-14-10)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3 | [InChIKey]
XVEURJOWGBWEPY-UHFFFAOYSA-N | [SMILES]
N1(CC2=C(F)C=CC=C2F)C=C(C(OC)=O)N=N1 |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [REACH Registrations]
Active | [HS Code ]
2933998350 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
4-Descarboxamido Rufinamide 4-Methyl Ester is an impurity in the synthesis of Rufinamide (R701550), an antiepileptic triazole derivative which decreases firing by neurons at sodium channels. Anticonvulsant. | [Synthesis]
Example 7: Synthesis of compound (II)
Synthesis of methyl 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate: 2,6-difluorobenzyl azide (3.0 g, 17.7 mmol) was suspended in ethanol (30 ml), followed by the addition of methyl propargylate (1.6 g, 19.6 mmol), ascorbic acid (317 mg, 1.8 mmol) and copper sulfate pentahydrate ( 50 mg, 0.18 mmol). The reaction mixture was stirred at 25°C overnight. After completion of the reaction, the mixture was concentrated, dissolved in ethyl acetate and the resulting solution was washed with ammonia. The organic phase was dried, filtered and concentrated under reduced pressure to give a white crystalline solid in 94% yield.
1H NMR (400 MHz, DMSO-d6) δ (ppm): 8.86 (s, 1H), 7.52 (m, 1H), 7.27-7.12 (m, 2H), 5.74 (s, 2H), 3.83 (s, 3H). | [References]
[1] Patent: US2010/234616, 2010, A1. Location in patent: Page/Page column 3
[2] Patent: EP2230234, 2010, A1. Location in patent: Page/Page column 7
[3] ChemSusChem, 2015, vol. 8, # 3, p. 504 - 512
[4] Patent: WO2010/43849, 2010, A1. Location in patent: Page/Page column 13
[5] Tetrahedron Letters, 2013, vol. 54, # 26, p. 3406 - 3409 |
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