6-(Morpholinomethyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1160790-92-0
Catalog: |
BB003707 |
Product Name: |
6-(Morpholinomethyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1160790-92-0 |
Synonyms: |
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]morpholine; 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methyl]morpholine |
IUPAC Name: | 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methyl]morpholine |
Description: | 6-(Morpholinomethyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1160790-92-0) is used as a reactant in the synthesis of antibacterial benzimidazole ureas. |
Molecular Weight: | 304.19 |
Molecular Formula: | C16H25N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CN3CCOCC3 |
InChI: | InChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)13-5-6-14(18-11-13)12-19-7-9-20-10-8-19/h5-6,11H,7-10,12H2,1-4H3 |
InChI Key: | DDIPWDTXYFXZET-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD16995640 |
LogP: | 1.15090 |
Publication Number | Title | Priority Date |
KR-20200138086-A | 1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20190531 |
WO-2020240492-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20190531 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.1958228 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.1958228 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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