What is the molecular formula of 3-Cyanobenzeneboronic acid, pinacol ester?

The molecular formula is C13H16BNO2.

What is the molecular weight of 3-Cyanobenzeneboronic acid, pinacol ester?

The molecular weight is 229.08 g/mol.

When was 3-Cyanobenzeneboronic acid, pinacol ester created?

It was created on July 19, 2005.

What is the IUPAC name of 3-Cyanobenzeneboronic acid, pinacol ester?

The IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the InChI of 3-Cyanobenzeneboronic acid, pinacol ester?

The InChI is 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.

What is the InChIKey of 3-Cyanobenzeneboronic acid, pinacol ester?

The InChIKey is FIGQEPXOSAFKTA-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Cyanobenzeneboronic acid, pinacol ester?

The canonical SMILES representation is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N.

What is the European Community (EC) number of 3-Cyanobenzeneboronic acid, pinacol ester?

The European Community (EC) number is 625-255-0.

Is 3-Cyanobenzeneboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

NAVIGATION

Products

3-Cyanobenzeneboronic acid, pinacol ester

Name: 3-Cyanobenzeneboronic acid, pinacol ester
SKU: ACM214360460-1
Rating: 5 (1 reviews)

PRICE INQUIRY

Catalog NumberACM214360460-1

CAS Number214360-46-0

CategorySalt

3-Cyanobenzeneboronic acid, pinacol ester

Synonyms

578401_ALDRICH, BM076, 3-Cyanophenylboronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 214360-46-0

IUPAC Name

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

Molecular Weight

229.08

Molecular Formula

C₁₃H₁₆BNO₂

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N

InChI Key

FIGQEPXOSAFKTA-UHFFFAOYSA-N

Boiling Point

341ºC at 760mmHg

Melting Point

78-82ºC(lit.)

Flash Point

160ºC

Purity

98%

Density

1.06g/cm³

Application

The purpose of 3-Cyanobenzeneboronic acid, pinacol ester, is to serve as a versatile reactant used in various organic synthesis reactions. It is particularly valuable in the formation of 3-Cyano aryl or heteroaryl derivatives through the creation of carbon-carbon bonds via the palladium-catalyzed Suzuki-Miyaura reaction. Additionally, this compound is utilized in copper-catalyzed Chan-Evans-Lam amination reactions to synthesize 3-(Phenylamino)benzonitrile. It also facilitates the production of 3-(Trifluoromethyl)benzonitrile when used with potassium (trifluoromethyl)trimethoxyborate, demonstrating its utility in different chemical transformations.

Exact Mass

229.12700

Hazard Statements

Xi: Irritant;

Safety Description

26-36

WGK Germany

If you have any other questions or need other size, please get a quote.