1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole
- Product Name
- 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole
- CAS No.
- 529508-58-5
- Chemical Name
- 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole
- Synonyms
- 1-(3-Fluorobenzyl)-5-nitro-1H-indazole;1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole;1H-Indazole, 1-[(3-fluorophenyl)methyl]-5-nitro-
- CBNumber
- CB91512444
- Molecular Formula
- C14H10FN3O2
- Formula Weight
- 271.25
- MOL File
- 529508-58-5.mol
1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole Property
- Boiling point:
- 447.7±30.0 °C(Predicted)
- Density
- 1.38±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.82±0.30(Predicted)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 7494AB
- Product name
- 1-(3-Fluorobenzyl)-5-nitro-1H-indazole
- Packaging
- 1g
- Price
- $108
- Updated
- 2021/12/16
- Product number
- 7494AB
- Product name
- 1-(3-Fluorobenzyl)-5-nitro-1H-indazole
- Packaging
- 5g
- Price
- $224
- Updated
- 2021/12/16
- Product number
- HCH0049366
- Product name
- 1-(3-FLUOROBENZYL)-5 -NITRO-1H-INDAZOLE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $496.29
- Updated
- 2021/12/16
- Product number
- 7494AB
- Product name
- 1-(3-Fluorobenzyl)-5-nitro-1H-indazole
- Packaging
- 10g
- Price
- $331
- Updated
- 2021/12/16
- Product number
- 529508585
- Product name
- 1-(3-Fluorobenzyl)-5-nitro-1H-indazole
- Packaging
- 10g
- Price
- $336
- Updated
- 2021/12/16
1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole Chemical Properties,Usage,Production
Synthesis
456-41-7
5401-94-5
529508-58-5
General procedure for the synthesis of 1-[(3-fluorophenyl)methyl]-5-nitro-1H-indazole from 3-fluorobenzyl bromide and 5-nitroindazole: 5-nitroindazole (1 eq.), cesium carbonate (1.1 eq.), and DMF (5 v/v) were added to a reaction vessel. The mixture was heated to 70-80 °C and 3-fluorobenzyl bromide was added slowly and dropwise over 75 min. The progress of the reaction was monitored by HPLC until the area percentage (AP) of the nitroindazole with the combined isomers was less than 2%. After completion of the reaction, the mixture was cooled to 20 °C. The insoluble salt was removed by filtration and the filter cake was washed with DMF (2.7 v/v). Water (1.35 to 1.45 v/v) was added to the filtrate at 15-21 °C to induce crystallization of the product. The crystal slurry was kept for 4 hours and the crystals were subsequently collected by filtration. The crystals were washed sequentially with 2:1 DMF:water mixture (2.1 vol), water (2 vol) and 3:1 cold acetonitrile:water mixture (1.5 vol). The wet filter cake was dried at less than 45 °C until the weight loss (LOD) was less than 1%, giving a final yield of about 49%. The product was confirmed by 1H NMR (CDCl3): δ 5.64 (s, 2H), 6.87 (d, 1H, J = 9.4 Hz), 6.95 (m, 2H), 7.30 (m, 1H), 7.42 (d, 1H, J = 9.2 Hz), 8.23 (dd, 1H, J = 10Hz and 2Hz), 8.26 (s, 1H), 8.72 (d , 1H, J = 2Hz). Mass spectrum (MS): 272 (M + H)+; HPLC retention time: 6.99 min (YMC ODS-A 3 µm, 4.6 x 50 mm column, 10 min gradient, 2.5 mL/min).
References
[1] Patent: WO2005/58245, 2005, A2. Location in patent: Page/Page column 32-33
[2] Patent: WO2005/58245, 2005, A2. Location in patent: Page/Page column 32-33
[3] Journal of Medicinal Chemistry, 2009, vol. 52, # 21, p. 6527 - 6530
[4] Patent: WO2012/182, 2012, A1. Location in patent: Page/Page column 11
[5] Patent: WO2012/356, 2012, A1. Location in patent: Page/Page column 10-11
1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole Preparation Products And Raw materials
Raw materials
Preparation Products
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