1,3-Dimethylpyrazole-4-boronic acid

Basic Information

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CAS Number

1146616-03-6

Molecular Formula

C5H9BN2O2

Molecular Weight

139.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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B(C1=CN(N=C1C)C)(O)O

InChI

InChI=1S/C5H9BN2O2/c1-4-5(6(9)10)3-8(2)7-4/h3,9-10H,1-2H3

InChIKey

SWUMSPVHWLBEHP-UHFFFAOYSA-N

LogP

-1.59168

Topological Polar Surface Area

58.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

122

Synonyms & References

English

1,3-Dimethylpyrazole-4-boronic acid
(1,3-Dimethyl-1H-pyrazol-4-yl)boronic acid
(1,3-dimethylpyrazol-4-yl)boronic acid
A-3312
1,3-DIMETHYL-1H-PYRAZOL-4-YLBORONIC ACID
Boronic acid, B-(1,3-dimethyl-1H-pyrazol-4-yl)-
SWUMSPVHWLBEHP-UHFFFAOYSA-N
AB73380
AK315408
1,3-dimethyl-1H-pyrazole-4-boronic acid
Z7517
(1,3-dimethyl-1H-pyrazol-4-yl)boronic acid
(1,3-dimethyl-1H-pyrazol-4-yl)boronicacid
DS-11299
DTXSID00681757
F11403
EN300-212626
SY022593
DA-17374
1146616-03-6
1,3-Dimethyl-4-pyrazoleboronic Acid
AMY4968
MFCD18250638
SCHEMBL953920
CS-0044698
AKOS014312245

MDL Number

MFCD18250638

FAQ

What are the physical and chemical properties of 1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6)?

1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6) is a white crystalline solid with a molecular weight of approximately 199.17 g/mol. It is slightly soluble in water and ethanol. This compound exhibits good reactivity in boronate ester formation and is used in various chemical reactions due to its boronic acid functional group.

How is 1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6) typically synthesized?

1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6) is typically synthesized through the reaction of 1,3-dimethylpyrazole-4-carboxylic acid with a boronate esterifying reagent, such as boron tribromide. This process provides good selectivity and yield, making it a common method for preparing this compound in the laboratory and industry.

What industries use 1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6)?

1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6) is used in the pharmaceutical industry for its reactivity in organic synthesis, particularly in the formation of boronate esters. It is also utilized in polymer chemistry for certain polymerization processes, and in sensor technology for its ability to participate in various chemical reactions.

What precautions should be taken when handling 1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6)?

When handling 1,3-Dimethylpyrazole-4-boronic acid (CAS: 1146616-03-6), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a fume hood to minimize inhalation risks. In case of spill, it should be cleaned up carefully according to the safety data sheet (SDS) guidelines. Always consult the SDS for detailed handling and disposal information.