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ChemicalBook >> CAS DataBase List >>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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Structure
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure
CAS No.
171364-82-2
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms
4-CYANOPHENYLBORONIC ACID PINACOL ESTER;Benzonitrile, 4-(;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-Benzonitrile(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CBNumber:
CB1323243
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.08
MDL Number:
MFCD03093897
MOL File:
171364-82-2.mol
MSDS File:
SDS
Last updated:2026-09-12 18:49:11
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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Properties

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)
UNSPSC Code 12352103
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H315-H319-H335-H301
Precautionary statements  P280a-P301+P310a-P405-P501a-P261-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
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
NFPA 704
1
2 0

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile price More Price(65)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 527556 4-Cyanophenylboronic acid pinacol ester 97% 171364-82-2 1g $56.2 2023-06-20 Buy
Sigma-Aldrich 527556 4-Cyanophenylboronic acid pinacol ester 97% 171364-82-2 5g $274 2023-06-20 Buy
TCI Chemical T3350 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile >98.0%(GC)(T) 171364-82-2 1g $56 2026-04-30 Buy
TCI Chemical T3350 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile >98.0%(GC)(T) 171364-82-2 5g $163 2026-04-30 Buy
Usbiological 269447 4-Cyanophenylboronic acid pinacol ester Asreported 171364-82-2 2g $349 2026-06-03 Buy
Product number Packaging Price Buy
527556 1g $56.2 Buy
527556 5g $274 Buy
T3350 1g $56 Buy
T3350 5g $163 Buy
269447 2g $349 Buy

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical Properties,Uses,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

4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carbonitrile

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

Global( 181)Suppliers
Supplier Tel Email Country ProdList Advantage
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
Beijing HwrkChemical Technology Co., Ltd 89508211 18501085097 sales.bj@hwrkchemical.com China 9407 55
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Wuhan Chemwish Technology Co., Ltd 86-027-67849912 sales@chemwish.com China 35884 56
Capot Chemical Co., Ltd +86 (0) 571 85 58 67 18 China 18187 66
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. +86-21-54098501 sales@sinch.com.cn China 11592 64
Accela ChemBio Co.,Ltd. 021-50795510 4000665055 marketing@accelachem.com China 10972 64
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Supplier Advantage
J & K SCIENTIFIC LTD. 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 62
Alfa Aesar 84
Beijing HwrkChemical Technology Co., Ltd 55
Energy Chemical 61
Wuhan Chemwish Technology Co., Ltd 56
Capot Chemical Co., Ltd 66
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. 64
Accela ChemBio Co.,Ltd. 64
Shanghai Hanhong Scientific Co.,Ltd. 64

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile pictures 2026-08-25 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
171364-82-2
 $18.00-48.00 99% ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE pictures 2026-08-18 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
171364-82-2
 1KG 98% 150KG /month Shanghai Daken Advanced Materials Co.,Ltd
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile pictures 2026-01-20 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
171364-82-2
 25kg 99.5% 100kg Zhongwei Coking Technology National Engineering Research Center Co., Ltd.

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

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE(171364-82-2)1HNMR4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE(171364-82-2)IR

171364-82-2(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)Related Search:

1,2,3,4-Tetramethyl-1,3-cyclopentadiene Tetramethylthiuram Disulfide Tetramethyl glutaric aciduria 4-Cyanophenylboronic acid 3,3'-Iminobis(N,N-dimethylpropylamine)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 2-Cyanophenylboronic acid, pinacol ester 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene 2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
4-Cyano-2-fluorobenzeneboronic acid, pinacol ester

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4-Cyanophenylboronic acid pinacol ester 97% 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 4-CYANOPHENYLBORONIC ACID PINACOL ESTER 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI) 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 171364-82-2 C13H16BNO2 Organometallic Reagents Boronic Acids and Derivatives Boronate Esters Aryl