4-Benzyloxy-2(1H)-pyridone - CAS 53937-02-3
Catalog: |
BB028401 |
Product Name: |
4-Benzyloxy-2(1H)-pyridone |
CAS: |
53937-02-3 |
Synonyms: |
4-phenylmethoxy-1H-pyridin-2-one |
IUPAC Name: | 4-phenylmethoxy-1H-pyridin-2-one |
Description: | 4-Benzyloxy-2(1H)-pyridone (CAS# 53937-02-3) is a useful intermediate used in the synthesis of 2-pyridone derivatives shown to be potent inhibitors of Bacillus anthracis (BaENR). |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=O)NC=C2 |
InChI: | InChI=1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14) |
InChI Key: | DOVNUEPFPBWTSV-UHFFFAOYSA-N |
Boiling Point: | 464.3 °C at 760 mmHg |
Melting Point: | 201-203 °C |
Purity: | 95 % |
Density: | 1.2 g/cm3 |
Appearance: | Yellow to brown solid |
MDL: | MFCD00191783 |
LogP: | 1.95390 |
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 |
WO-2021126729-A1 | Prmt5 inhibitors | 20191217 |
WO-2021073439-A1 | Pyrazine derivative for inhibiting shp2 activity | 20191014 |
WO-2021054804-A1 | Novel p62 ligand compound, and composition containing same for preventing, ameliorating, or treating proteinopathies | 20190920 |
WO-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2021028806-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyridines
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