1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Product Name
- 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS No.
- 1206640-82-5
- Chemical Name
- 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Synonyms
- 1-(Difluoromethyl)pyrazole-4-boronic aci;1-(Difluoromethyl)pyrazole-4-boronic acid pinacol ester;1-(Difluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan;(1-(DIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;1-(difluoroMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-y;1-(difluoromethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1H-Pyrazole, 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CBNumber
- CB42514877
- Molecular Formula
- C10H15BF2N2O2
- Formula Weight
- 244.05
- MOL File
- 1206640-82-5.mol
1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Property
- Boiling point:
- 294.9±40.0 °C(Predicted)
- Density
- 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- pka
- -1.01±0.19(Predicted)
- form
- solid
- color
- White
- InChI
- InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-14-15(6-7)8(12)13/h5-6,8H,1-4H3
- InChIKey
- SACVSUQLLHEZLY-UHFFFAOYSA-N
- SMILES
- N1(C(F)F)C=C(B2OC(C)(C)C(C)(C)O2)C=N1
Safety
- HS Code
- 2933199090
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
- D447573
- Product name
- 1-(Difluoromethyl)pyrazole-4-boronicacidpinacolester
- Packaging
- 25mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- D447573
- Product name
- 1-(Difluoromethyl)pyrazole-4-boronicacidpinacolester
- Packaging
- 250mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- Z3972
- Product name
- 1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Packaging
- 1g
- Price
- $87
- Updated
- 2021/12/16
- Product number
- CS-W000398
- Product name
- 1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Purity
- ≥98.0%
- Packaging
- 5g
- Price
- $103
- Updated
- 2021/12/16
- Product number
- CS-W000398
- Product name
- 1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Purity
- ≥98.0%
- Packaging
- 1g
- Price
- $27
- Updated
- 2021/12/16
1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Chemical Properties,Usage,Production
Synthesis
269410-08-4
1895-39-2
1206640-82-5
Step 1: Synthesis of 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole To a 100 mL round bottom flask was added 4-pyrazole boronic acid pinacol ester (1.0 g, 5.15 mmol), 18-crown-6 (0.27 g, 1.03 mmol) and anhydrous acetonitrile (25 mL). The mixture was stirred until a colorless homogeneous solution was formed and then sodium difluorochloroacetate (0.94 g, 6.18 mmol) was added. The reaction mixture was heated to reflux and held for 18 hours. After completion of the reaction, the mixture was cooled to room temperature. Insoluble solids were removed by filtration through a diatomaceous earth pad and the filter cake was washed with ethyl acetate (3 x 20 mL). The filtrate and washings were combined, filtered through a hydrophobic glassine and concentrated under reduced pressure to give a light yellow oily crude product. The crude product was purified by fast silica gel column chromatography (gradient elution, hexane to 33% ethyl acetate/isohexane) to afford 1-(difluoromethyl)-4-boronic acid pinacol ester-based-1H-pyrazole as a colorless solid (1.06 g, 84% yield). The mass spectrum (electrospray positive ion mode) showed the molecular ion peak (M+H)+ consistent with the target compound.
References
[1] Patent: WO2014/159218, 2014, A1. Location in patent: Paragraph 00218
[2] Patent: WO2014/159224, 2014, A1. Location in patent: Paragraph 00256
[3] Patent: US2017/8889, 2017, A1. Location in patent: Paragraph 0324; 0325
[4] Patent: US2010/197651, 2010, A1. Location in patent: Page/Page column 84
[5] Patent: WO2014/1377, 2014, A1. Location in patent: Page/Page column 119; 120
1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Preparation Products And Raw materials
Raw materials
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View Lastest Price from 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole manufacturers
- Product
- 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1206640-82-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 95%
- Supply Ability
- 500kg
- Release date
- 2018-08-19