[3-(Methylcarbamoyl)phenyl]boronic acid

Basic Information

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CAS Number

832695-88-2

Molecular Formula

C8H10BNO3

Molecular Weight

178.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

114-124°C

SMILES

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CNC(=O)c1cccc(c1)B(O)O

InChI

InChI=1S/C8H10BNO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChIKey

FYFFPNFUVMBPRZ-UHFFFAOYSA-N

LogP

-1.2739999999999998

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

186

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(Methylcarbamoyl)benzeneboronic acid
(3-(Methylcarbamoyl)phenyl)boronic acid
3-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID
3-(Methylaminocarbonyl)benzeneboronic Acid
[3-(methylcarbamoyl)phenyl]boronic acid
3-(N-Methylaminocarbonyl)benzeneboronic acid
3-(N-methylaminocarbonyl)phemylboronic acid
Boronic acid,B-[3-[(methylamino)carbonyl]phenyl]-
3-(methylcarbamoyl)phenylboronic acid
Boronic acid, [3-[(methylamino)carbonyl]phenyl]-
3-(METHYLAMINOCARBONYL)PHENYLBORONIC ACID
KSC496E8L
FYFFPNFUVMBPRZ-UHFFFAOYSA-N
EBD215353
AKO
(3-(methylcarbamoyl)phenyl)boronic acid

MDL Number

MFCD04038918

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [3-(Methylcarbamoyl)phenyl]boronic acid (CAS: 832695-88-2)?

[3-(Methylcarbamoyl)phenyl]boronic acid is a white or off-white crystalline solid with a molecular weight of approximately 268.27 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. Chemically, it shows basic properties due to the presence of the phenolic hydroxyl group and the boronic acid moiety. It is known for its stability in the solid state but can react with strong acids and bases. Its reactivity is mainly attributed to the boronic acid functionality, which makes it suitable for reactions like Suzuki coupling.

How is [3-(Methylcarbamoyl)phenyl]boronic acid (CAS: 832695-88-2) typically synthesized?

[3-(Methylcarbamoyl)phenyl]boronic acid can be synthesized via the reaction of 3-methylcarbamoylphenol with boronic acid. The synthesis typically involves the protection of the phenolic hydroxyl group to prevent unwanted side reactions, followed by the introduction of the boronic acid moiety. Commonly, this is achieved using an organoborane reagent in the presence of a base. The yield can be quite high, and the selectivity is generally good, making it a practical method for producing this compound.

What industries use [3-(Methylcarbamoyl)phenyl]boronic acid (CAS: 832695-88-2)?

[3-(Methylcarbamoyl)phenyl]boronic acid is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various medicinal compounds due to its reactivity at the boronic acid site. In the polymer industry, it can be used as a functional monomer to improve the properties of polymers. Additionally, it has applications in sensor technology and semiconductor manufacturing, where its chemical properties make it useful for specific analytical and electronic applications.

What precautions should be taken when handling [3-(Methylcarbamoyl)phenyl]boronic acid (CAS: 83269-88-2)?

When handling [3-(Methylcarbamoyl)phenyl]boronic acid (CAS: 832695-88-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be managed in a well-ventilated area, ideally with a fume hood to prevent inhalation of dust. Spills should be cleaned up with care, using appropriate absorbents, and the area should be thoroughly cleaned with water and a mild detergent. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions to ensure safety in the laboratory setting.