[3-(Benzylcarbamoyl)phenyl]boronic acid

Basic Information

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CAS Number

625470-96-4

Molecular Formula

C14H14BNO3

Molecular Weight

255.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

224-230

Density

1.24

Refractive Index

1.611

SMILES

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B(C1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H14BNO3/c17-14(16-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(18)19/h1-9,18-19H,10H2,(H,16,17)

InChIKey

OBCLAQJSSJOSFL-UHFFFAOYSA-N

LogP

0.29639999999999955

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

292

Safety Information

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Hazard Statement

Synonyms & References

English

3-((benzylamino)carbonyl)phenylboronic acid
3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID
Boronic acid,B-[3-[[(phenylmethyl)amino]carbonyl]phenyl]-
DTXSID80390774
(3-(Benzylcarbamoyl)phenyl)boronic acid
N-BENZYL 3-BORONOBENZAMIDE
3-(benzylcarbamoyl)phenylboronic acid
MFCD04115688
AKOS015839368
A853718
BP-11438
AM87850
I12659
SCHEMBL177584
AS-65696
FT-0732969
3-[(Benzylamino)carbonyl]phenylboronic acid
3-[(Benzylamino)carbonyl]phenylboronic acid, AldrichCPR
625470-96-4
C14H14BNO3
[3-(benzylcarbamoyl)phenyl]boronic Acid
AB20402
(3-(Benzylcarbamoyl)phenyl)boronicacid
3-(Benzylcarbamoyl)benzeneboronic acid
3-(N-Benzylaminocarbonyl)phenylboronic acid
Boronicacid, [3-[[(phenylmethyl)amino]carbonyl]phenyl]- (9CI)
3-(Benzylaminocarbonyl)phenylboronic acid
[3-(Benzylcarbamoyl)phenyl]boronicacid
(3-(benzylcarbamoyl)phenyl)boronic acid

MDL Number

MFCD04115688

FAQ

What are the physical and chemical properties of [3-(Benzylcarbamoyl)phenyl]boronic acid (CAS: 625470-96-4)?

[3-(Benzylcarbamoyl)phenyl]boronic acid is a crystalline compound with a molecular weight of approximately 348.35 g/mol. It has a moderate solubility in organic solvents like dichloromethane and poor solubility in water. The compound shows high reactivity in boronate ester formation and is stable under acidic conditions but prone to hydrolysis under basic conditions. It is often used in various chemical reactions due to its unique structure and functional groups.

How is [3-(Benzylcarbamoyl)phenyl]boronic acid (CAS: 625470-96-4) typically synthesized?

[3-(Benzylcarbamoyl)phenyl]boronic acid is typically synthesized via the protection of a phenolic hydroxyl group followed by carbamoylation of the benzene ring. The key steps involve the use of a protecting group such as tert-butyldimethylsilyl chloride, followed by the addition of benzyl carbamoyl chloride in the presence of a base like triethylamine. The reaction conditions are optimized to achieve high yield and selectivity. This compound is also available commercially for research and industrial applications.

What industries use [3-(Benzylcarbamoyl)phenyl]boronic acid (CAS: 625470-96-4)?

[3-(Benzylcarbamoyl)phenyl]boronic acid finds applications across multiple industries. In pharmaceuticals, it is used as a key intermediate in the synthesis of drug candidates. In the polymer industry, it serves as a functional monomer for the modification of polymer properties. Additionally, it is utilized in the development of sensors and semiconductors due to its unique electronic properties. Its versatility makes it a valuable compound in both academic and industrial settings.

What precautions should be taken when handling [3-(Benzylcarbamoyl)phenyl]boronic acid (CAS: 625470-96-4)?

When handling [3-(Benzylcarbamoyl)phenyl]boronic acid (CAS: 625470-96-4), it is essential to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. The compound should be handled in a well-ventilated fume hood to minimize exposure to potential vapors. Spills should be immediately cleaned up using appropriate materials, and the area should be flushed with water. In case of accidental ingestion or skin contact, seek medical attention immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.