CAS 171364-82-2

4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile

Description:

4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile, with the CAS number 171364-82-2, is an organoboron compound characterized by the presence of a dioxaborolane moiety and a benzonitrile group. The dioxaborolane structure contributes to its unique reactivity, particularly in cross-coupling reactions, making it valuable in organic synthesis and materials science. The compound typically exhibits good solubility in organic solvents, which facilitates its use in various chemical reactions. Its nitrile functional group enhances its polarity and can participate in hydrogen bonding, influencing its interactions with other molecules. Additionally, the presence of bulky tetramethyl groups in the dioxaborolane ring can provide steric hindrance, affecting its reactivity and stability. Overall, this compound is of interest in the development of new synthetic methodologies and may have applications in the fields of pharmaceuticals, agrochemicals, and polymer chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₃H₁₆BNO₂

InChI: InChI=1/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3

InChI key: InChIKey=HOPDTPGXBZCBNP-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC=C(C#N)C=C2

Synonyms:

• 1,1,2,2-Tetramethyldimethylene (4-cyanophenyl)boronate
• 2-(4-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 4,4,5,5-Tetramethyl-2-(4-cyanophenyl)-1,3,2-dioxaborolane
• 4-(Cyanophenyl)boronic acid pinacol ester
• 4-Cyanobenzeneboronic acid, pinacol ester
• 4-Cyanophenylboronic Acid Pinacol Ester
• Benzonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 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%

4-Cyanobenzeneboronic acid pinacol ester, 97%

CAS: 171364-82-2

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₃H₁₆BNO₂

Purity: 97%

Color and Shape: White to pale cream to cream to brown, Powder

Molecular weight: 229.09

Ref: 02-H28208

4-Cyanobenzeneboronic acid, pinacol ester

CAS: 171364-82-2

Formula: C₁₃H₁₆BNO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 229.0826

Ref: IN-DA00340M

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

CAS: 171364-82-2

Formula: C₁₃H₁₆BNO₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 229.09

Ref: 3B-T3350

4-Cyanobenzeneboronic acid, pinacol ester

CAS: 171364-82-2

4-Cyanobenzeneboronic acid, pinacol ester

Formula: C₁₃H₁₆BNO₂

Purity: 98%

Color and Shape: white solid

Molecular weight: 229.08g/mol

Ref: 54-OR11009

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

CAS: 171364-82-2

Formula: C₁₃H₁₆BNO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 229.09

Ref: 10-F010831

4-(Cyanophenyl)boronic Acid Pinacol Ester

Controlled Product

CAS: 171364-82-2

Applications 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.
References Roche, A., et al.: Org. Biomol. Chem.,, 3, 515 (2005); Papst, S., et al.: Bioorg. Med. Chem., 20, 5139 (2012)

Formula: C₁₃H₁₆BNO₂

Color and Shape: Neat

Molecular weight: 229.08

Ref: TR-C982045