4-Pentenylboronic acid

Basic Information

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CAS Number

886747-03-1

Molecular Formula

C5H11BO2

Molecular Weight

113.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

129-143 °C

SMILES

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B(CCCC=C)(O)O

InChI

InChI=1S/C5H11BO2/c1-2-3-4-5-6(7)8/h2,7-8H,1,3-5H2

InChIKey

OYPOYNGGXOZFOZ-UHFFFAOYSA-N

LogP

0.4254

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

63.4

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Boronic acid, 4-pentenyl-
4-PENTENYLBORONIC ACID
pent-4-enylboronic acid
Boronic acid,4-pentenyl
(pent-4-en-1-yl)boronic acid
B-4-Penten-1-ylboronic acid (ACI)
Boronic acid, 4-pentenyl- (9CI)
(4-Penten-1-yl)boronic acid
CS-0158004
PENT-4-EN-1-YLBORONICACID
AS-49571
886747-03-1
DB-367925
MFCD10567002
4-Pentenylboronic acid
EN300-4289520
AKOS013153994
PENT-4-EN-1-YLBORONIC ACID
I12040
4-Pentenylboronic acid, >=95%
Pent-4-enylboronic Acid
DTXSID20469216
SCHEMBL614712

MDL Number

MFCD10567002

FAQ

What are the physical and chemical properties of 4-Pentenylboronic acid (CAS: 886747-03-1)?

4-Pentenylboronic acid is a white crystalline solid with a molecular weight of approximately 170.23 g/mol. It has a high solubility in organic solvents such as ethanol and acetone, but is poorly soluble in water. Chemically, it shows typical reactivity of organoboronic acids, such as participation in Suzuki coupling reactions with aryl halides. It is stable under standard storage conditions but should be protected from moisture and air.

How is 4-Pentenylboronic acid (CAS: 886747-03-1) typically synthesized?

4-Pentenylboronic acid is typically synthesized through the reaction of 4-pentenylboronic ester with a base such as sodium hydroxide, followed by acidification to protonate the boronate ester. Catalysts like Pd(0) complexes can be used to improve the yield and selectivity in cross-coupling reactions. The overall process requires careful control of pH and temperature to achieve high purity.

What industries use 4-Pentenylboronic acid (CAS: 886747-03-1)?

4-Pentenylboronic acid is primarily used in the pharmaceutical and polymer industries. It is a key intermediate in the synthesis of boronic acid derivatives that are used in drug discovery and development. In the polymer industry, it serves as a functional monomer for the development of new materials with specific properties. Additionally, it has applications in sensor and semiconductor technology due to its reactivity.

What precautions should be taken when handling 4-Pentenylboronic acid (CAS: 886747-03-1)?

When handling 4-Pentenylboronic acid, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and air to prevent degradation. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) for the compound.