5-Pyrimidineboronic Acid

Product Information

Molecular Formula:
C4H5N2O2B
Molecular Weight:
123.91
Description
5-Pyrimidineboronic Acid (CAS# 109299-78-7) is one of the new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.
Synonyms
5-pyrimidinylboronic acid; pyrimidin-5-ylboronic acid
IUPAC Name
pyrimidin-5-ylboronic acid
Canonical SMILES
B(C1=CN=CN=C1)(O)O
InChI
InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H
InChI Key
HZFPPBMKGYINDF-UHFFFAOYSA-N
Boiling Point
334.7 °C at 760 mmHg
Flash Point
Not applicable
Density
1.33 g/cm3
Storage
Inert atmosphere, 2-8 °C
LogP
-1.84360

Safety Information

Hazards
H315 - H318 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
124.0444076 g/mol
Monoisotopic Mass
124.0444076 g/mol
Topological Polar Surface Area
66.2Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
84.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113845515-A Aromatic heterocyclic structure-containing dimethyl biphenyl diaryl pyrimidine derivative and preparation method and application thereof 2021-09-03
CN-113461666-A Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof 2021-05-06
KR-102302993-B1 Composition for forming an interlayer noise prevention layer and Interlayer noise prevention floor structure comprising an interlayer noise prevention layer formed of the composition 2021-04-06
CN-113045550-A Triazole derivative and preparation method and application thereof 2021-03-12
US-2021403449-A1 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure 2021-03-08
CN-112778294-A 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor 2021-01-07
CN-113321645-A 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor 2021-01-07
KR-102291783-B1 Fast-hardening cement composition containing multi-walled carbon nanotubes, fast-hardening latex-modified concrete composition containing the same, and repair method of concrete structure using the same 2020-12-29
KR-102329798-B1 Concrete composition for repair and reinforcement including fiber reinforcement and repair and reinforcement method for concrete structures using the same 2020-12-22
CN-112409241-A Organic compound, application thereof and organic electroluminescent device adopting organic compound 2020-11-27

Literatures

PMID Publication Date Title Journal
15007413 2004-03-21 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions Organic & biomolecular chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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