Pyrimidine-4-boronic Acid - CAS 852362-24-4
Catalog: |
BB037550 |
Product Name: |
Pyrimidine-4-boronic Acid |
CAS: |
852362-24-4 |
Synonyms: |
4-pyrimidinylboronic acid; pyrimidin-4-ylboronic acid |
IUPAC Name: | pyrimidin-4-ylboronic acid |
Description: | Pyrimidine-4-boronic Acid (CAS# 852362-24-4) is an intermediate used to prepare aldosterone synthase inhibiting pyrimidinylnaphthalenes via Suzuki cross-coupling reactions. It is also used in the synthesis of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]amine as a potent, orally active Src kinase inhibitor with antitumor activity. |
Molecular Weight: | 123.91 |
Molecular Formula: | C4H5N2O2B |
Canonical SMILES: | B(C1=NC=NC=C1)(O)O |
InChI: | InChI=1S/C4H5BN2O2/c8-5(9)4-1-2-6-3-7-4/h1-3,8-9H |
InChI Key: | YQEFFTJDRKXKAP-UHFFFAOYSA-N |
Boiling Point: | 334.7 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | -1.84360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111039881-A | Organic compound and electronic device | 20190925 |
CN-111039881-B | Organic compound and electronic device | 20190925 |
WO-2021057550-A1 | Organic compound and electronic device | 20190925 |
KR-20190106807-A | Organometallic compound and organic light emitting device comprising same | 20180308 |
WO-2019110521-A1 | Fluorophenyl substituted muscarinic receptor ligands with selectivity for m3 over m2 | 20171204 |
PMID | Publication Date | Title | Journal |
22347365 | 20120101 | Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes | PloS one |
Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.0444076 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.0444076 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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