2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product Name: 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No.: 870238-67-8
Chemical Name: 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms: 4-Cyano-3-fluorophenylboronate ester;4-Cyano-3-fluorophenylboronic acid pinacol ester;1-Cyano-3-fluorophenylboronic acid pinacol ester;2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborola;4-Cyano-3-fluorobenzeneboronicacidpinacolester,96%;4-Cyano-3-fluorobenzeneboronic acid pinacol ester, 96%;Benzonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxabor...;2-(4-Cyano-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;BENZONITRILE,2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
CBNumber: CB12660009
Molecular Formula: C13H15BFNO2
Formula Weight: 247.07
MOL File: 870238-67-8.mol

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2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Property

Boiling point:: 346.6±32.0 °C(Predicted)
Density: 1.12±0.1 g/cm3(Predicted)
storage temp.: 2-8°C
form: Solid
Appearance: White to off-white Solid
InChI: InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
InChIKey: DMJGKVYFBOCENL-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F
CAS DataBase Reference: 870238-67-8

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Safety

HS Code: 2931900090

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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.

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.

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N-Bromosuccinimide Price

TRC

Product number: C987615
Product name: 4-Cyano-3-fluorophenylboronicacidpinacolester
Packaging: 1g
Price: $75
Updated: 2021/12/16

Matrix Scientific

Product number: 102704
Product name: 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Purity: >95%
Packaging: 500mg
Price: $29
Updated: 2021/12/16

AK Scientific

Product number: AMTB812
Product name: 2-Fluoro-4-(4,4,5,5-tetramethyl-1.3.2-dioxaborolan-2-yl)benzonitrile
Packaging: 1g
Price: $35
Updated: 2021/12/16

Matrix Scientific

Product number: 102704
Product name: 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Purity: >95%
Packaging: 1g
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC103198
Product name: 4-Cyano-3-fluorophenylboronic acid pinacol ester
Packaging: 500mg
Price: $65
Updated: 2021/12/16

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2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical Properties,Usage,Production

Uses

2-Fluoro-4-(4,4,5, 5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is used as an intermediate for Capmatinib. Capmatinib is an anti-cancer drug used to treat metastatic non-small cell lung cancer.

Synthesis

105942-08-3

73183-34-3

870238-67-8

4-Bromo-2-fluorobenzonitrile (4.0 g, 20 mmol), pinacol ester of bisboronic acid (3.8 g, 30 mmol), and potassium acetate (6.1 g, 60 mmol) were suspended in dimethyl sulfoxide (DMSO, 50 mL) under nitrogen protection. Subsequently, [1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (Pd(dppf)Cl2, 1.5 g, 0.2 mmol) was added. The reaction mixture was stirred at 80 °C for 4 hours. After completion of the reaction, the mixture was diluted with water (100 mL) and extracted with ethyl acetate (100 mL × 3). The organic layers were combined and washed sequentially with water (50 mL × 3) and saturated saline (50 mL), then dried with anhydrous sodium sulfate. After drying, the filtrate was filtered and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent ratio: petroleum ether/ethyl acetate = 50:1 to 10:1) to afford the target product 4-cyano-3-fluorophenylboronic acid pinacol ester (56-a, 3.6 g, 73% yield). The product was characterized by 1H-NMR (400 MHz, CD3OD): δ 7.62 (m, 3H), 1.35 (s, 12H) ppm.

References

[1] Patent: US2015/336982, 2015, A1. Location in patent: Paragraph 0365; 0366; 0367
[2] Patent: WO2009/32861, 2009, A1. Location in patent: Page/Page column 45; 46
[3] Patent: WO2010/59658, 2010, A1. Location in patent: Page/Page column 149

2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Suppliers

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View Lastest Price from 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 870238-67-8
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Nanjing Fred Technology Co., Ltd

Product: 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 870238-67-8
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1 ton
Release date: 2023-12-21

Henan Fengda Chemical Co., Ltd

Product: 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 870238-67-8
Price: US $5.00-0.10/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: g-kg-tons, free sample is available
Release date: 2024-04-09

870238-67-8, 2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrileRelated Search:

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870238-67-8