(2,6-Dimethyl-4-pyridinyl)boronic acid

Basic Information

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CAS Number

846548-44-5

Molecular Formula

C7H10BNO2

Molecular Weight

150.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

252°C at 760 mmHg

SMILES

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Cc1cc(cc(C)n1)B(O)O

InChI

InChI=1S/C7H10BNO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,10-11H,1-2H3

InChIKey

ALGDKINLACWIRM-UHFFFAOYSA-N

LogP

-0.62176

Topological Polar Surface Area

53.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

122

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(2,6-Dimethylpyridin-4-yl)boronic acid
2,6-Dimethyl-4-pyridylboronic Acid
2,6-Dimethylpyridin-4-yl-4-boronic acid
2,6-Dimethyl-pyridine-4-boronic acid
2,6-Dimethylpyridine-4-boronic acid
Boronic acid, (2,6-dimethyl-4-pyridinyl)-
B-(2,6-DIMETHYL-4-PYRIDINYL)-BORONIC ACID
2,6-dimethylpyridin-4-ylboronic acid
ALGDKINLACWIRM-UHFFFAOYSA-N
2,6-dimethyl-4-pyridinylboronic acid
2,6-dimethyl-4-pyridine boronic acid
2,6-dimethyl-pyrid-4-yl boronic a
(2,6-dimethylpyridin-4-yl)boronic acid

MDL Number

MFCD11042425

Customs Code

2933399090

FAQ

What are the physical and chemical properties of (2,6-Dimethyl-4-pyridinyl)boronic acid (CAS: 846548-44-5)?

(2,6-Dimethyl-4-pyridinyl)boronic acid has a crystalline form with a molecular weight of approximately 167.23 g/mol. It has low solubility in water but is more soluble in organic solvents like methanol and ethanol. This compound exhibits good reactivity in boronate ester formation and is often used in organoboron chemistry and catalytic reactions.

How is (2,6-Dimethyl-4-pyridinyl)boronic acid (CAS: 846548-44-5) typically synthesized?

(2,6-Dimethyl-4-pyridinyl)boronic acid is typically synthesized through the reaction of 2,6-dimethylpyridine with an organoboronic acid. Common catalysts include palladium(II) acetate and triphenylphosphine. The reaction yields a boronic ester with high selectivity and good yield under mild conditions.

What industries use (2,6-Dimethyl-4-pyridinyl)boronic acid (CAS: 846548-44-5)?

(2,6-Dimethyl-4-pyridinyl)boronic acid is widely used in the pharmaceutical industry for drug synthesis, particularly in asymmetric synthesis and catalytic reactions. It is also used in the polymer industry for functionalization and in the electronics industry for semiconductor applications and sensor technology.

What precautions should be taken when handling (2,6-Dimethyl-4-pyridinyl)boronic acid (CAS: 846548-44-5)?

When handling (2,6-Dimethyl-4-pyridinyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Store it in a fume hood to avoid inhalation of dust. In case of a spill, clean it up using appropriate procedures and refer to the Safety Data Sheet (SDS) for detailed instructions. Always work in a well-ventilated area and follow laboratory safety guidelines.