[5-(Methoxycarbonyl)-3-pyridinyl]boronic acid

Basic Information

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CAS Number

871329-53-2

Molecular Formula

C7H8BNO4

Molecular Weight

180.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

102-108

Boiling Point

377.2℃ at 760 mmHg

Density

1.33

SMILES

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

InChI

InChI=1S/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3

InChIKey

PGTWAVVFCNTGCS-UHFFFAOYSA-N

LogP

-1.452

Topological Polar Surface Area

79.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

187

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

5-(METHOXYCARBONYL)PYRIDINE-3-BORONIC ACID
J-516362
5-(methoxycarbonyl)pyridin-3-ylboronic acid
871329-53-2
SY015688
WJB32953
5-(methoxycarbonyl)pyridin-3-ylboronic acid;5-(Methoxycarbonyl)pyridine-3-boronic Acid
PS-9470
(5-methoxycarbonylpyridin-3-yl)boronic acid
SCHEMBL961277
AKOS006344212
(5-(Methoxycarbonyl)pyridin-3-yl)boronic acid
(5-(Methoxycarbonyl)pyridin-3-yl)boronicacid
3-(methoxycarbonyl)pyridine-5-boronic acid
DTXSID90624592
EN300-391755
METHYL 5-BORONONICOTINATE
AB30667
[5-(methoxycarbonyl)pyridin-3-yl]boronic acid
FT-0644976
PGTWAVVFCNTGCS-UHFFFAOYSA-N
AMY37665
MFCD07363742
CS-W023044
(5-METHOXYCARBONYL-3-PYRIDYL)BORONIC ACID
[5-(METHOXYCARBONYL)PYRIDIN-3-YL]BORONIC ACID
3-(Methoxycarbonyl)pyridine-5-boronic acid
3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester
5-(Methoxycarbonyl)pyridin-3-ylboronic acid
5-(Methoxycarbonyl)pyridine-3-boronic acid
Methyl 5-Borononicotinate

MDL Number

MFCD07363742

FAQ

What are the physical and chemical properties of [5-(Methoxycarbonyl)-3-pyridinyl]boronic acid (CAS: 871329-53-2)?

[5-(Methoxycarbonyl)-3-pyridinyl]boronic acid is a crystalline solid with a molecular weight of approximately 258.26 g/mol. It is sparingly soluble in water and organic solvents. Chemically, it is reactive towards bases and may undergo deprotection or other transformations under certain conditions. It is stable in air but should be stored in a desiccator to prevent moisture absorption.

How is [5-(Methoxycarbonyl)-3-pyridinyl]boronic acid (CAS: 871329-53-2) typically synthesized?

[5-(Methoxycarbonyl)-3-pyridinyl]boronic acid is commonly synthesized via a multistep process involving the protection of the pyridine ring, followed by the introduction of the methoxycarbonyl group, and finally the formation of the boronic acid moiety. This process often uses reagents such as methoxycarbonyl chloride, boronic acids, and palladium catalysts. The overall yield can vary, but efficient methods can achieve up to 85% yield.

What industries use [5-(Methoxycarbonyl)-3-pyridinyl]boronic acid (CAS: 871329-53-2)?

[5-(Methoxycarbonyl)-3-pyridinyl]boronic acid finds applications in pharmaceuticals, where it serves as a building block for drug synthesis, and in polymer science, where it is used as a monomer or crosslinker. It is also used in sensor technology for detecting various analytes and in semiconductor manufacturing for etching and other processes.

What precautions should be taken when handling [5-(Methoxycarbonyl)-3-pyridinyl]boronic acid (CAS: 871329-53-2)?

PPE such as gloves and goggles should be worn when handling [5-(Methoxycarbonyl)-3-pyridinyl]boronic acid. It should be stored in a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbents. Emergency showers and eye wash stations should be available. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.