3-Amino-4-fluorophenylboronic acid, pinacol ester
- Product Name
- 3-Amino-4-fluorophenylboronic acid, pinacol ester
- CAS No.
- 1003575-43-6
- Chemical Name
- 3-Amino-4-fluorophenylboronic acid, pinacol ester
- Synonyms
- oronic Acid Pinacol Ester;3-Amino-4-fluorophenylboronic acid, pinacol ester;3-Amino-4-fluorobenzeneboronic acid, pinacol ester 96%;3-AMino-4-fluorobenzeneboronic acid pinacol ester, 96%;2-Fluoro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline;2-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine;Benzenamine, 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CBNumber
- CB21486470
- Molecular Formula
- C12H17BFNO2
- Formula Weight
- 237.08
- MOL File
- 1003575-43-6.mol
3-Amino-4-fluorophenylboronic acid, pinacol ester Property
- Melting point:
- 54.0-55.1 °C
- Boiling point:
- 336.8±32.0 °C(Predicted)
- Density
- 1.11±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Solid
- pka
- 3.19±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3
- InChIKey
- VXNIVUKZNDRJBW-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1cc(c(cc1)F)N
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- BML00204
- Product name
- 3-Amino-4-fluorophenylboronic acid, pinacol ester
- Purity
- Aldrich
- Packaging
- 1g
- Price
- $330
- Updated
- 2025/07/31
- Product number
- A608510
- Product name
- 3-Amino-4-fluorophenylboronic acid, pinacol ester
- Packaging
- 100mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- CS-W006140
- Product name
- 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- Packaging
- 1g
- Price
- $86
- Updated
- 2021/12/16
- Product number
- PC52054
- Product name
- 3-Amino-4-fluorobenzeneboronic acid, pinacol ester
- Purity
- 96%
- Packaging
- 1g
- Price
- $237
- Updated
- 2021/12/16
- Product number
- BOR0001752
- Product name
- 3-AMINO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $270.9
- Updated
- 2021/12/16
3-Amino-4-fluorophenylboronic acid, pinacol ester Chemical Properties,Usage,Production
Uses
3-Amino-4-fluorophenylboronic Acid Pinacol Ester is used as a reactant in preparation of LY3009120 as pan-RAF inhibitor with activity against BRAF or RAS mutant tumor cells.
Synthesis
1218791-09-3
1003575-43-6
General procedure for the synthesis of 3-amino-4-fluorophenylboronic acid pinacol ester from 2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl: First, a 500-mL Parr reactor flask was purged with nitrogen and 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- based) aniline (13) (6.92 g, 25.9 mmol), ethyl acetate (150 mL) and 10% palladium carbon (50% wet, 150 mg dry wt.). Subsequently, the reaction flask was connected to a Parr hydrogenation unit, evacuated and filled with hydrogen to a pressure of 50 psi and reacted under shaking conditions for 2 hours. Upon completion of the reaction, the hydrogen was evacuated and filled with nitrogen. The catalyst was removed by filtration through a diatomaceous earth pad (521) and the filter cake was washed with dichloromethane (400 mL). The resulting filtrate was concentrated under reduced pressure to afford the target product 3-amino-4-fluorophenylboronic acid pinacol ester (14) in 100% yield (6.34 g) as a yellow oil. The product was characterized by 1H NMR (500 MHz, CDCl3): δ 7.22 (dd, 1H, J = 8.5,1.0 Hz), 7.16 (m, 1H), 6.97 (dd, 1H, J = 11.5,8.0 Hz), 3.68 (br s, 2H), 1.33 (m, 12H); MS (ESI+) m/z 238.2 (M + H).
References
[1] Patent: WO2010/56875, 2010, A1. Location in patent: Page/Page column 205
3-Amino-4-fluorophenylboronic acid, pinacol ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Amino-4-fluorophenylboronic acid, pinacol ester manufacturers
- Product
- 3-AMino-4-fluorobenzeneboronic acid pinacol ester 1003575-43-6
- Price
- US $800.00/g
- Min. Order
- 1g
- Purity
- 97
- Supply Ability
- 50 Kg
- Release date
- 2024-02-12