[5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid

Basic Information

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CAS Number

917471-30-8

Molecular Formula

C8H8BNO2

Molecular Weight

30.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

384.8±52.0°C at 760 mmHg

Density

1.21

SMILES

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B(C1=CC(=CN=C1)C#CC)(O)O

InChI

InChI=1S/C8H8BNO2/c1-2-3-7-4-8(9(11)12)6-10-5-7/h4-6,11-12H,1H3

InChIKey

QICKHKWSOJEAII-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

206

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

Synonyms & References

English

DS-4223
A854119
J-516385
FT-0687846
SY102950
5-(PROP-1-YN-1-YL)PYRIDIN-3-YLBORONIC ACID
(5-Prop-1-ynylpyridin-3-yl)boronic acid
QICKHKWSOJEAII-UHFFFAOYSA-N
SCHEMBL931865
[5-(prop-1-yn-1-yl)pyridin-3-yl]boronic acid
5-(Prop-1-ynyl)pyridin-3-yl boronic acid
MFCD18258851
(5-(Prop-1-yn-1-yl)pyridin-3-yl)boronic acid
AMY17900
CS-0060830
(5-(Prop-1-yn-1-yl)pyridin-3-yl)boronicacid
P2403
Boronic acid, B-[5-(1-propyn-1-yl)-3-pyridinyl]-
5-(PROP-1-YNYL)PYRIDIN-3-YLBORONIC ACID
C8H8BNO2
5-(1-Propynyl)pyridine-3-boronic Acid
F13763
5-(1-Propynyl)pyridine-3-boronic Acid (contains varying amounts of Anhydride)
917471-30-8
AKOS016006158
5-(prop-1-ynyl)pyridin-3-ylboronic acid
[5-(5-PROP-1-YNYL-3-PYRIDYL)-3-PYRIDYL]BORONIC ACID
[5-(Prop-1-ynyl)pyridin-3-yl]boronic acid
3-propnynyl pyridine-5-boronic acid
STL556138
BBL102338

MDL Number

MFCD18258851

FAQ

What are the physical and chemical properties of [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid (CAS: 917471-30-8)?

The compound [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid has a crystalline form and a molecular weight of approximately 232.27 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. The compound shows moderate reactivity in boronic acid reactions, making it useful in a variety of organic synthesis applications.

How is [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid (CAS: 917471-30-8) typically synthesized?

[5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid is commonly synthesized via the reaction of 3-bromopyridine with 1-propynylboronic acid in the presence of a catalyst such as Pd(PPh3)4. The reaction typically yields a high purity product with a high selectivity, and the reaction conditions can be optimized for specific applications in organic synthesis.

What industries use [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid (CAS: 917471-30-8)?

[5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various complex molecules and is also utilized in the development of materials for sensors and semiconductors.

What precautions should be taken when handling [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid (CAS: 917471-30-8)?

When handling [5-(1-Propyn-1-yl)-3-pyridinyl]boronic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and used in a fume hood to minimize exposure. In case of spillage, follow the manufacturer's safety data sheet (SDS) for proper cleanup procedures.