3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

Product Name: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
CAS No.: 214360-46-0
Chemical Name: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Synonyms: 3-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-(4,4,5,5-tetraMethy;3-cyanphenylboronic acid pinacol ester;3-CYANOPHENYLBORONIC ACID, PINACOL ESTER;3-Cyanobenzeneboronic acid, pinacol ester;(3-Cyanophenyl)boronic acid pinalol ester;1,1,2,2-Tetramethyldimethylene (3-cyanophenyl)boronate;2-(3-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE;3-(4,4,5,5-tetraMethyl-1,3,2-dioxoborolan-2-yl)-benzonitrile
CBNumber: CB9215973
Molecular Formula: C13H16BNO2
Formula Weight: 229.08
MOL File: 214360-46-0.mol

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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Property

Melting point:: 78-82 °C (lit.)
Boiling point:: 341.0±25.0 °C(Predicted)
Density: 1.06±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Solid
color: White
InChI: InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChIKey: FIGQEPXOSAFKTA-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1
CAS DataBase Reference: 214360-46-0(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
HS Code: 29319090

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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.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 578401
Product name: 3-Cyanophenylboronic acid pinacol ester
Purity: 97%
Packaging: 1g
Price: $58.7
Updated: 2025/07/31

Sigma-Aldrich

Product number: 578401
Product name: 3-Cyanophenylboronic acid pinacol ester
Purity: 97%
Packaging: 5g
Price: $249
Updated: 2023/01/07

Usbiological

Product number: 269090
Product name: 3-Cyanophenylboronic acid pinacol ester
Packaging: 1g
Price: $352
Updated: 2021/12/16

TRC

Product number: C989753
Product name: 3-Cyanophenylboronic acid pinacol ester
Packaging: 1g
Price: $75
Updated: 2021/12/16

TRC

Product number: C989753
Product name: 3-Cyanophenylboronic acid pinacol ester
Packaging: 250mg
Price: $55
Updated: 2021/12/16

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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

3-Cyanophenylboronic acid pinacol ester can be used as a reactant to synthesize:

3-Cyano aryl/ heteroaryl derivatives by forming a C?C bond via palladium-catalyzed Suzuki-Miyaura reaction.
3-(Phenylamino)benzonitrile by copper-catalyzed Chan-Evans-Lam amination reaction.
3-(Trifluoromethyl)benzonitrile using potassium (trifluoromethyl)trimethoxyborate.

Synthesis

2237-30-1

73183-34-3

214360-46-0

To a solution of 3-aminobenzonitrile (0.5 g, 4.23 mmol) in acetonitrile (30 mL) was added tert-butyl nitrite (0.7 mL, 6.34 mmol) and pinacol ester of bis(boronic acid) (1.29 g, 5.076 mmol) sequentially at 0 °C. The reaction mixture was warmed to 80 °C and stirred continuously for 2 hours. After completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (combiflash system) with the eluent being a 4% ethyl acetate/hexane solvent mixture, resulting in pinacol ester of 3-cyanobenzeneboronic acid (0.35 g, 99.8% yield). The molecular weight of the product was confirmed by LCMS analysis: m/z 294 ([M+H]+).

References

[1] Patent: WO2015/105779, 2015, A1. Location in patent: Page/Page column 17; 18
[2] Patent: US2016/333005, 2016, A1. Location in patent: Paragraph 0064-0065
[3] Journal of Organic Chemistry, 2013, vol. 78, # 5, p. 1923 - 1933
[4] Angewandte Chemie - International Edition, 2010, vol. 49, # 10, p. 1846 - 1849

3-(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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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Suppliers

China 108 France 1 Germany 4 India 4 Japan 2 Switzerland 1 The Netherlands 1 United Kingdom 12 United States 30 Global 163

P&S Chemicals

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View Lastest Price from 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 214360-46-0
Price: US $3.00-9.00/KG
Min. Order: 0.1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2025-07-03

Shanghai Daken Advanced Materials Co.,Ltd

Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 214360-46-0
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 150KG /month
Release date: 2021-11-17

Career Henan Chemical Co

Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 214360-46-0
Price: US $3.00/KG
Min. Order: 1KG
Purity: 99
Supply Ability: 100kg
Release date: 2019-07-10

214360-46-0, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILERelated Search:

3-Cyanophenylboronic acid 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE,4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 97% 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 1,3-DICYANO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENE 5-Cyano-2-methoxyphenylboronic acid pinacol ester

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

3-CYANOPHENYLBORONIC ACID, PINACOL ESTER

3-Cyanobenzeneboronic acid, pinacol ester

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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrilele

3-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-cyanphenylboronic acid pinacol ester

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 2-(3-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

(3-Cyanophenyl)boronic acid pinacol ester 1,1,2,2-Tetramethyldimethylene (3-cyanophenyl)boronate

2-(3-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-(4,4,5,5-tetraMethy

1,1,2,2-Tetramethyldimethylene (3-cyanophenyl)boronate

(3-cyanophenyl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid

(3-Cyanophenyl)boronic acid pinalol ester

Benzonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

214360-46-0

Aryl

Boronic Acids and Derivatives

Boronate Esters

Organometallic Reagents