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

Product Name: 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
CAS No.: 171364-82-2
Chemical Name: 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Synonyms: Benzonitrile, 4-(;4-CYANOPHENYLBORONIC ACID PINACOL ESTER;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborola;4-Cyanobenzeneboronic acid, pinacol ester;4-Cyanophenylboronic acid pinacol ester 97%;4-Cyanobenzeneboronic acid, pinacol ester 98%;4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-(4-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE;4-Benzonitrile(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
CBNumber: CB1323243
Molecular Formula: C13H16BNO2
Formula Weight: 229.08
MOL File: 171364-82-2.mol

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

Melting point:: 95-99 °C(lit.)
Boiling point:: 345.8±25.0 °C(Predicted)
Density: 1.06±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline Powder
color: Light yellow to orange or light tan
InChI: 1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3
InChIKey: HOPDTPGXBZCBNP-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccc(cc2)C#N
CAS DataBase Reference: 171364-82-2(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38-20/21/22
Safety Statements: 26-36-36/37/39
WGK Germany: 3
TSCA: No
HazardClass: IRRITANT
HS Code: 29319090
Storage Class: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H301Toxic if swalloed

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.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 527556
Product name: 4-Cyanophenylboronic acid pinacol ester
Purity: 97%
Packaging: 1g
Price: $56.2
Updated: 2023/06/20

Sigma-Aldrich

Product number: 527556
Product name: 4-Cyanophenylboronic acid pinacol ester
Purity: 97%
Packaging: 5g
Price: $274
Updated: 2023/06/20

TCI Chemical

Product number: T3350
Product name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Purity: >98.0%(GC)(T)
Packaging: 1g
Price: $70
Updated: 2025/07/31

TCI Chemical

Product number: T3350
Product name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Purity: >98.0%(GC)(T)
Packaging: 5g
Price: $204
Updated: 2025/07/31

TRC

Product number: C982045
Product name: 4-Cyanophenylboronic acid pinacol ester
Packaging: 2.5g
Price: $70
Updated: 2021/12/16

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

Chemical Properties

light yellow to orange or light tan crystalline powde

Uses

4-(Cyanophenyl)boronic Acid Pinacol Ester is used to prepare arylparacyclophanes via Suzuki aryl cross-coupling of bromoparacyclophane with arylboronic acid and arylboronates. It’s also used to prepare tyrosine-modified analogs of α4β7 integrin inhibitor biotin-R8ERY.

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 7508, 1995 DOI: 10.1021/jo00128a024

Synthesis

Under argon protection, 4-bromobenzonitrile 91.1 g (0.5 mol), sodium acetate 98.4 g (1.2 mol), diethylene glycol dimethyl ether 800 mL and bis(pinacolato)diboron 152.4 g (0.6 mol) were added sequentially, the reaction temperature was controlled at 140 ??C, and catalyst 1,1'-bis(dicyclohexylphosphino)ferrocene palladium chloride 375.5 mg was added (0.5 mmol), the reaction was detected by high performance liquid chromatography (HPLC) after 14 h. The reaction was quenched with 600 mL of water, extracted with 300 mL of toluene for 3 times, the organic phases were combined, dried with anhydrous magnesium sulfate, filtered, and the solvent was recovered by decompression to obtain a brown solid, which was distilled using a 4L oil pump to obtain 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolato) benzonitrile 111.4 g. Content 99.5% (GC), yield 97.2%, melting point 93.6-94.5 ??.

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

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

Zhongwei Coking Technology National Engineering Research Center Co., Ltd.

Product: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 171364-82-2
Price: US $0.00/kg
Min. Order: 25kg
Purity: 99.5%
Supply Ability: 100kg
Release date: 2025-12-24

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 171364-82-2
Price: US $18.00-48.00/KG
Min. Order: 0.01KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2025-06-19

Shanghai Daken Advanced Materials Co.,Ltd

Product: 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 171364-82-2
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 150KG /month
Release date: 2021-11-17

171364-82-2, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILERelated Search:

4-Cyanophenylboronic acid Tetramethylthiuram Disulfide 3,3'-IMINOBIS(N,N-DIMETHYLPROPYLAMINE) 1,2,3,4-TETRAMETHYL-1,3-CYCLOPENTADIENE Tetramethyl glutaric aciduria 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 4-Cyano-2-fluorobenzeneboronic acid, pinacol ester 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE 4-(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

4-Cyanophenylboronic acid pinacol ester 97%

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

4-CYANOPHENYLBORONIC ACID PINACOL ESTER

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 97%

4-Cyanobenzeneboronic acid, pinacol ester

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,97%

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

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

4-Cyanobenzeneboronic acid pinacol ester 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Benzonitrile, 4-(

4-Cyanobenzeneboronic acid, pinacol ester 98%

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

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

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

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborola

171364-82-2

C13H16BNO2

Organometallic Reagents

Boronic Acids and Derivatives

Boronate Esters

Aryl