1-Benzyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1594127-49-7
Catalog: |
BB011532 |
Product Name: |
1-Benzyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1594127-49-7 |
Synonyms: |
1-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-Benzyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1594127-49-7) is a useful research chemical. |
Molecular Weight: | 311.18 |
Molecular Formula: | C18H22NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21)20(13-15)12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3 |
InChI Key: | MGLITBRUDMNHJA-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
KR-20200124759-A | Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
JP-2021518384-A | A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. | 20180321 |
Complexity: | 516 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.1692737 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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