Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)
- Product Name
- Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)
- CAS No.
- 656235-44-8
- Chemical Name
- Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)
- Synonyms
- Boronic acid, (2-cyano-6-fluorophenyl)-;2-Cyano-6-fluorophenylboronic acid 95+%;Boronic acid, B-(2-cyano-6-fluorophenyl)-;Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)
- CBNumber
- CB91065223
- Molecular Formula
- C7H5BFNO2
- Formula Weight
- 164.93
- MOL File
- 656235-44-8.mol
Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Property
- Boiling point:
- 367.7±52.0 °C(Predicted)
- Density
- 1.35±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.77±0.58(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H5BFNO2/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,11-12H
- InChIKey
- PPLSIVNRHUSMMC-UHFFFAOYSA-N
- SMILES
- B(C1=C(F)C=CC=C1C#N)(O)O
Safety
- HS Code
- 2931900090
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
- C987553
- Product name
- 2-Cyano-6-fluorophenylboronicacid
- Packaging
- 50mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- FC104753
- Product name
- (2-cyano-6-fluorophenyl)boronic Acid
- Packaging
- 500mg
- Price
- $150
- Updated
- 2021/12/16
- Product number
- FC104753
- Product name
- (2-cyano-6-fluorophenyl)boronic Acid
- Packaging
- 1g
- Price
- $230
- Updated
- 2021/12/16
- Product number
- FC104753
- Product name
- (2-cyano-6-fluorophenyl)boronic Acid
- Packaging
- 2g
- Price
- $350
- Updated
- 2021/12/16
- Product number
- BOR0003780
- Product name
- 2-CYANO-6-FLUOROPHENYLBORONIC ACID
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $370.65
- Updated
- 2021/12/16
Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Chemical Properties,Usage,Production
Uses
2-Cyano-6-fluorophenylboronic acid
Synthesis
403-54-3
656235-44-8
General procedure for the synthesis of 2-cyano-6-fluorophenylboronic acid from 3-fluorobenzonitrile: To a 500 mL three-necked round-bottomed flask equipped with a magnetic stirring bar, a dosing funnel, and a nitrogen inlet, under nitrogen protection, were added 3-fluorobenzonitrile (10.0 g, 82.56 mmol), triisopropyl borate (28.5 mL, 23.3 g, 123.84 mmol), and 100 mL anhydrous THF.The reaction mixture was cooled to -50 °C and a THF/hexane solution of LDA (86.7 mmol, freshly prepared from 8.77 g of diisopropylamine in 20 mL of THF and 54.2 mL of 1.6 M n-BuLi in hexane) was added dropwise over a period of 1 hour. The reaction mixture was slowly warmed to -5 °C and stirred at this temperature for 30 min. Subsequently, 70 mL of 5N HCl aqueous solution and 50 mL of MTBE were added and stirred for 30 min at room temperature. The reaction mixture was extracted with MTBE (4 x 100 mL), the organic phases were combined, washed with brine (2 x 100 mL), concentrated under reduced pressure, controlled to a temperature lower than 20 °C, and finally dried in vacuo at room temperature to give 12.16 g (89% yield) of 2-cyano-6-fluorophenylboronic acid as a white solid.LCMS m/z (M+H)+: 165.8. 1H NMR ( 300 MHz, DMSO-d6): δ 8.92 (2H), 7.65 (1H), 7.57 (1H), 7.49 (1H).
References
[1] Patent: WO2006/51410, 2006, A1. Location in patent: Page/Page column 44
[2] Journal of Organic Chemistry, 2005, vol. 70, # 15, p. 5938 - 5945
[3] Journal of Organic Chemistry, 2004, vol. 69, # 2, p. 566 - 569
Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Suppliers
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- Country
- India
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View Lastest Price from Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) manufacturers
- Product
- Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) 656235-44-8
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2020-01-11
- Product
- Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) 656235-44-8
- Price
- US $0.00/g
- Min. Order
- 1g
- Purity
- 95%min
- Supply Ability
- 20kg/month
- Release date
- 2019-12-30
- Product
- Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) 656235-44-8
- Price
- US $0.00/g
- Min. Order
- 1g
- Purity
- 95%min
- Supply Ability
- 20kg/month
- Release date
- 2019-12-30