Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)

Base Information

• Chemical Name: Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)
• CAS No.: 217448-86-7
• Molecular Formula: C11H9F2N3O2
• Molecular Weight: 253.208
• Hs Code.: 2933990090
• Mol file: 217448-86-7.mol

Synonyms:Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)

Chemical Property of Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)

Chemical Property:

• Melting Point: 140℃ (methanol )
• Boiling Point: 374.8±52.0 °C(Predicted)
• PKA: -1.75±0.12(Predicted)
• PSA: 57.01000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 1.39120
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99.9% ^*data from raw suppliers

4-DescarboxamidoRufinamide4-MethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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.

Technology Process of Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate)

There total 12 articles about Rufinamide Related Compound B (25 mg) (Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2-(azidomethyl)-1,3-difluorobenzene (106308-60-5) + propynoic acid methyl ester (922-67-8) → methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate (217448-86-7)

Guidance literature:

With sodium chloride; In water; for 3h; regioselective reaction; Irradiation;

DOI:10.1039/c9gc00894b

Reference yield: 88.0%

2-(azidomethyl)-1,3-difluorobenzene (106308-60-5) + methyl 3-methoxyprop-2-enoate (34846-90-7) → methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate (217448-86-7)

Guidance literature:

2-(azidomethyl)-1,3-difluorobenzene; methyl 3-methoxyprop-2-enoate; at 210 ℃; for 0.25h; Flow reactor; Green chemistry;

With methanol; under 51755.2 Torr; Flow reactor; Green chemistry;

DOI:10.1039/c6gc01133k

Reference yield: 87.5%

methanol (67-56-1) + CGP 47292 (166196-11-8) → methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate (217448-86-7)

Guidance literature:

With sulfuric acid; at 60 - 65 ℃; for 6h;

upstream raw materials:

2-(azidomethyl)-1,3-difluorobenzene

propynoic acid methyl ester

methyl 3-methoxyprop-2-enoate

2,6-Difluorobenzyl bromide

Downstream raw materials:

rufinamide

CGP 47292

1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carbonyl chloride

Refernces

• 1、 Steiner, Sebastian,Wolf, Jakob,Glatzel, Stefan,Andreou, Anna,Granda, Jaros?aw M.,Keenan, Graham,Hinkley, Trevor,Aragon-Camarasa, Gerardo,Kitson, Philip J.,Angelone, Davide,Cronin, Leroy. "Organic synthesis in a modular robotic system driven by a chemical programming language". . . Retrieved 2018/12/14.
• 2、 Borukhova, Svetlana,Seeger, Andreas D.,Nol, Timothy,Wang, Qi,Busch, Markus,Hessel, Volker. "Pressure-accelerated azide-alkyne cycloaddition: Micro capillary versus autoclave reactor performance". . p. 504 - 512. Retrieved 2015/03/04.