(2-Cyclopropylpyrimidin-5-yl)boronic acid

Basic Information

View in Editor

CAS Number

893567-15-2

Molecular Formula

C7H9BN2O2

Molecular Weight

163.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Density

1.32

SMILES

View in Editor

B(C1=CN=C(N=C1)C2CC2)(O)O

InChI

InChI=1S/C7H9BN2O2/c11-8(12)6-3-9-7(10-4-6)5-1-2-5/h3-5,11-12H,1-2H2

InChIKey

HIBBMEFTPMTWOY-UHFFFAOYSA-N

LogP

-0.9662000000000004

Topological Polar Surface Area

66.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

156

Synonyms & References

English

(2-Cyclopropylpyrimidin-5-yl)boronic acid
B-(2-cyclopropyl-5-pyrimidinyl)Boronic acid
(2-Cyclopropyl-5-pyrimidinyl)boronic acid
2-(Cyclopropyl)Pyrimidine-5-Boronic Acid
2-CYCLOPROPYLPYRIMIDIN-5-YLBORONIC ACID
C7H9BN2O2
HIBBMEFTPMTWOY-UHFFFAOYSA-N
4764AC
2-cyclopropylpyrimidine-5-boronic acid
PB20715
FCH1185072
OR360566
AX8236930
Boronic acid, B-(2-cyclopropyl-5-pyrimidinyl)-
2-Cyclopropylpyrimidin-5-ylboronic acid,
B-(2-Cyclopropyl-5-pyrimidinyl)boronic acid (ACI)
Boronic acid, (2-cyclopropyl-5-pyrimidinyl)- (9CI)
(2-cyclopropylpyrimidin-5-yl)boronic acid
893567-15-2
EN300-3242749
SY262494
SCHEMBL14933174
AS-55648
P11356
AKOS015943612
(2-Cyclopropylpyrimidin-5-yl)boronicacid
DA-01407
CS-0018647
2-Cyclopropylpyrimidin-5-ylboronic acid, AldrichCPR
DTXSID60671659
(2-CYCLOPROPYL-5-PYRIMIDINYL)BORONIC ACID

MDL Number

MFCD12032614

FAQ

What are the physical and chemical properties of (2-Cyclopropylpyrimidin-5-yl)boronic acid (CAS: 893567-15-2)?

(2-Cyclopropylpyrimidin-5-yl)boronic acid has a crystalline form and a molecular weight of approximately 249.23 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is moderately reactive, particularly in boron-halide and boron-nitrogen bond reactions. It exhibits good stability under normal conditions but should be stored away from strong oxidizing agents.

How is (2-Cyclopropylpyrimidin-5-yl)boronic acid (CAS: 893567-15-2) typically synthesized?

(2-Cyclopropylpyrimidin-5-yl)boronic acid can be synthesized through the coupling of 2-cyclopropylpyrimidine-5-boronic acid pinacol ester with a suitable boronic ester in the presence of a palladium catalyst and a base. Commonly, tris(dibenzylideneacetone)dipalladium(0) and tri-ortho-tolylphosphine are used as catalysts, and potassium carbonate or sodium carbonate as the base. The reaction typically shows high selectivity and yield.

What industries use (2-Cyclopropylpyrimidin-5-yl)boronic acid (CAS: 893567-15-2)?

(2-Cyclopropylpyrimidin-5-yl)boronic acid is primarily used in the pharmaceutical industry, where it serves as a building block for organic synthesis. It is also utilized in the development of sensors and semiconductors due to its unique chemical and physical properties.

What precautions should be taken when handling (2-Cyclopropylpyrimidin-5-yl)boronic acid (CAS: 893567-15-2)?

When handling (2-Cyclopropylpyrimidin-5-yl)boronic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a dry, cool place away from strong oxidizing agents. In case of a spill, use appropriate spill cleanup materials and consult the Safety Data Sheet (SDS) for detailed instructions. The fume hood should be used during handling to minimize exposure to volatile compounds.