(2-Acetamidophenyl)boronic acid

Basic Information

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CAS Number

169760-16-1

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

>300 °C

Boiling Point

°Cat760mmHg

Density

1.23

Refractive Index

1.553

SMILES

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B(C1=CC=CC=C1NC(=O)C)(O)O

InChI

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

InChIKey

UMOPBIVXPOETPG-UHFFFAOYSA-N

LogP

-0.6752000000000004

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

186

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Acetylaminophenylboronic acid
AKOS006221651
2-acetylaminophenyl boronic acid
Boronic acid, B-[2-(acetylamino)phenyl]-
EN300-212498
2-(acetylamino)phenylboronic acid
F76869
MFCD02179474
2-ethanamidophenylboronic acid
o-N-acetylaminophenylboronic acid
DTXSID50372244
AB11213
2-Acetamidophenylboronic acid, >=95%
BB 0260383
(2-acetamidophenyl)boronic acid
NCGC00249514-01
SCHEMBL521100
2-Acetamidobenzeneboronic acid
A811139
(2-acetamidophenyl)boronicacid
FT-0643625
169760-16-1
2-Acetamidophenylboronic acid
UMOPBIVXPOETPG-UHFFFAOYSA-N
PS-9469
(2-Acetamidophenyl)boronic acid
(2-Acetylamino)phenylboronic acid
o-Acetamidophenylboronic Acid
(2-Acetylaminophenyl)boronic acid
2-carbamoylbenzeneboronic acid
Boronic acid, B-[2-(acetylaMino)phenyl]-

MDL Number

MFCD02179474

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Acetamidophenyl)boronic acid (CAS: 169760-16-1)?

(2-Acetamidophenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 235.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol. This compound is relatively unreactive but can undergo condensation reactions under certain conditions. Its pKa is around 6.9, indicating a weak basic character.

How is (2-Acetamidophenyl)boronic acid (CAS: 169760-16-1) typically synthesized?

(2-Acetamidophenyl)boronic acid can be synthesized through the reaction of 2-acetamidophenol with boron tribromide followed by hydrolysis. Alternatively, it can be prepared via the Suzuki coupling reaction of 2-acetamidophenylboronic ester with a suitable coupling partner. The yield is typically high, and the method is known for its good selectivity.

What industries use (2-Acetamidophenyl)boronic acid (CAS: 169760-16-1)?

(2-Acetamidophenyl)boronic acid is primarily used in pharmaceuticals for the synthesis of various compounds, including drugs. It also finds applications in the production of polymers and as a reagent in organic synthesis. Additionally, it is utilized in sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (2-Acetamidophenyl)boronic acid (CAS: 169760-16-1)?

When handling (2-Acetamidophenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials, and proper disposal methods should be followed. Always refer to the safety data sheet (SDS) for detailed handling and storage information.