6-Hydroxypyridine-3-boronic Acid Pinacol Ester - CAS 1054483-78-1
Catalog: |
BB001651 |
Product Name: |
6-Hydroxypyridine-3-boronic Acid Pinacol Ester |
CAS: |
1054483-78-1 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one |
Description: | 6-Hydroxypyridine-3-boronic Acid Pinacol Ester (CAS# 1054483-78-1) is used in the preparation of modified C3 Betulinic acid (B330250) derivatives as HIV maturation inhibitors. |
Molecular Weight: | 221.06 |
Molecular Formula: | C11H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C=C2 |
InChI: | InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(14)13-7-8/h5-7H,1-4H3,(H,13,14) |
InChI Key: | WAUWXCUPDOXYKS-UHFFFAOYSA-N |
Boiling Point: | 401.1 °C at 760 mmHg |
Melting Point: | 196-200 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.13 g/cm3 |
MDL: | MFCD06795671 |
LogP: | 1.08640 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021053495-A1 | Bifunctional degraders and their methods of use | 20190916 |
WO-2021046315-A2 | Inhibitors of encephalitic alphaviruses | 20190905 |
WO-2020236688-A1 | Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes | 20190522 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
US-2020206216-A1 | Inhibitors of fibroblast activation protein | 20181221 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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