(4-Cyano-3-methoxyphenyl)boronic acid

Basic Information

View in Editor

CAS Number

677777-45-6

Molecular Formula

C8H8BNO3

Molecular Weight

165.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

View in Editor

B(C1=CC(=C(C=C1)C#N)OC)(O)O

InChI

InChI=1S/C8H8BNO3/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-4,11-12H,1H3

InChIKey

YWZHJSBHFAFASK-UHFFFAOYSA-N

LogP

-0.3165800000000001

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

213

Safety Information

View Safety Information

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS006304584
677777-45-6
W10586
CS-W005859
Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)
DS-2189
AB57851
YWZHJSBHFAFASK-UHFFFAOYSA-N
(4-Cyano-3-methoxy-phenyl)boronic acid
4-Cyano-3-methoxyphenyl boronic acid
SY110410
DTXSID70666778
AM804219
(4-Cyano-3-methoxyphenyl)boronicacid
FT-0735145
4-CYANO-3-METHOXYPHENYLBORONIC ACID
BORONIC ACID, (4-CYANO-3-METHOXYPHENYL)-
MFCD10696655
SCHEMBL249673
(4-Cyano-3-methoxyphenyl)boronic acid
4-cyano-3-methoxy-phenylboronic acid
4-cyano-3-methoxyphenylboronic acid
4-CN-3-methoxyphenyl boronic acid
4-CYANO-3-METHOXYBENZENE BORONIC ACID
AS06534
CM10455
BC001674
ST2402421
T

MDL Number

MFCD10696655

FAQ

What are the physical and chemical properties of (4-Cyano-3-methoxyphenyl)boronic acid (CAS: 677777-45-6)?

(4-Cyano-3-methoxyphenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 256.17 g/mol. It is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound shows moderate reactivity, particularly in boron hydride reactions and in coupling reactions with halides under palladium catalysis.

How is (4-Cyano-3-methoxyphenyl)boronic acid (CAS: 677777-45-6) typically synthesized?

(4-Cyano-3-methoxyphenyl)boronic acid is commonly synthesized through the arylation of (4-cyano-3-methoxyphenyl)boronic ester with sodium hydride in the presence of a palladium catalyst. The reaction typically yields a high purity product with good selectivity and moderate to high yield, depending on the specific conditions.

What industries use (4-Cyano-3-methoxyphenyl)boronic acid (CAS: 677777-45-6)?

(4-Cyano-3-methoxyphenyl)boronic acid finds applications in the pharmaceutical industry for the synthesis of complex molecules, in the production of polymers for electronic and optical applications, and in the development of sensors for detecting various analytes. It is also used in semiconductor manufacturing due to its ability to participate in cross-coupling reactions.

What precautions should be taken when handling (4-Cyano-3-methoxyphenyl)boronic acid (CAS: 677777-45-6)?

When handling (4-Cyano-3-methoxyphenyl)boronic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated fume hood to minimize inhalation risk. Spills should be immediately cleaned up with appropriate absorbent materials, and proper disposal methods should be followed as per the safety data sheet (SDS).