Pyrimidine-5-boronic Acid Pinacol Ester - CAS 321724-19-0
Catalog: |
BB021210 |
Product Name: |
Pyrimidine-5-boronic Acid Pinacol Ester |
CAS: |
321724-19-0 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
Description: | Pyrimidine-5-boronic Acid Pinacol Ester (CAS# 321724-19-0) is used in the preparation of indole derivatives as selective inhibitors of all three members of the Pim kinase family. It is also used to prepare inhibitors of TGF-β1 and activin A signalling. |
Molecular Weight: | 206.05 |
Molecular Formula: | C10H15N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=CN=C2 |
InChI: | InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3 |
InChI Key: | WSRGGSAGSUEJKQ-UHFFFAOYSA-N |
Boiling Point: | 308.9 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
MDL: | MFCD05155223 |
LogP: | 0.77580 |
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-113214144-A | Metal organic framework material based on dipole organic ligand, synthetic method and application thereof | 20210514 |
CN-111875548-A | 5-position aromatic ring substituted diaryl pyrimidine derivative and preparation method and application thereof | 20200716 |
CN-113214288-A | Benzo [1,3] oxazine-oxazolidinone compound and preparation method and application thereof | 20200204 |
CN-111004219-B | Compound, organic electroluminescent device, and display device | 20191226 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.1226579 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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