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
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 |
