(6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid

Basic Information

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CAS Number

903899-13-8

Molecular Formula

C5H6BNO3

Molecular Weight

138.92 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

188-199°C

Boiling Point

500.8℃ at 760 mmHg

SMILES

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B(C1=CNC(=O)C=C1)(O)O

InChI

InChI=1S/C5H6BNO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,9-10H,(H,7,8)

InChIKey

YUOLAYZNDYRBEZ-UHFFFAOYSA-N

LogP

-1.5330000000000001

Topological Polar Surface Area

73.58 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

209

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

6-hydroxy-3-pyridine boronic acid
AS-18604
(6-hydroxy-3-pyridyl)boronic acid
J-518799
(6-hydroxypyridin-3-yl)boronic acid, AldrichCPR
6-hydroxypyridin-3-ylboronic acid
2-oxo-1,2-dihydropyridin-5-ylboronic acid
AKOS015892176
AMY18402
CS-W003943
2-Hydroxypyridine-5-boronic acid
FT-0660511
903899-13-8
YUOLAYZNDYRBEZ-UHFFFAOYSA-N
6-HYDROXY-3-PYRIDINEBORONIC ACID
SY031077
A23198
6-Hydroxypyridine-3-boronic acid
AB54706
AKOS006314586
(6-Hydroxypyridin-3-yl)boronicacid
(6-HYDROXYPYRIDIN-3-YL)BORONIC ACID
(6-oxo-1H-pyridin-3-yl)boronic acid
DTXSID30674415
6-oxo-1,6-dihydropyridin-3-ylboronic acid
SCHEMBL116879
5-BORONO-2-PYRIDONE
MFCD09907979
(6-Oxo-1,6-dihydropyridin-3-yl)boronic acid
6-hydroxypyridin-3-ylboronicacid
(6-Hydroxypyridin-3-yl)boronic acid

MDL Number

MFCD09907979

FAQ

What are the physical and chemical properties of (6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid (CAS: 903899-13-8)?

(6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid is a white crystalline solid with a molecular weight of approximately 224.11 g/mol. It has a moderate solubility in water and is sparingly soluble in ethanol. Chemically, it is highly reactive, especially under basic conditions, and is used in various organic reactions due to its boronic acid functionality. It exhibits good thermal stability up to 150°C.

How is (6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid (CAS: 903899-13-8) typically synthesized?

(6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid is typically synthesized through a multistep process involving the formation of 3-pyridine boronic acid followed by an oxidation step. This can be achieved using various reagents such as phenylhydrazine, boron tribromide, and hydrogen peroxide. The overall yield is around 75%, and the reaction is conducted under anhydrous conditions to enhance reactivity and yield.

What industries use (6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid (CAS: 903899-13-8)?

(6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid finds applications in pharmaceuticals, where it serves as a key intermediate in the synthesis of certain drug molecules. It is also utilized in the development of sensors and semiconductors due to its unique functional groups. In the polymer industry, it is used as a cross-linking agent to enhance material properties.

What precautions should be taken when handling (6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid (CAS: 903899-13-8)?

When handling (6-Oxo-1,6-dihydro-3-pyridinyl)boronic acid (CAS: 903899-13-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should always be used in a well-ventilated area or fume hood. Spills should be immediately cleaned up using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed handling and disposal information. This material is reactive and should be stored in a dry, cool place to prevent degradation.