3,4-Dihydro-2(1H)-pyridinone - CAS 57147-25-8
Catalog: |
BB066719 |
Product Name: |
3,4-Dihydro-2(1H)-pyridinone |
CAS: |
57147-25-8 |
Synonyms: |
3,4-Dihydro-2-pyridone |
IUPAC Name: | 3,4-dihydro-1H-pyridin-2-one |
Description: | 3,4-Dihydro-2(1H)-pyridinone is used as a reactant for the regio- and stereoselective preparation of lactam-fused quinoline derivatives via Povarov-type multicomponent reaction of aldehydes, anilines, and unsaturated lactams followed by oxidation or fragmentation reactions. |
Molecular Weight: | 97.12 |
Molecular Formula: | C5H7NO |
Canonical SMILES: | C1CC(=O)NC=C1 |
InChI: | InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7) |
InChI Key: | ZPOODPZCZLCUAN-UHFFFAOYSA-N |
References: | Vicente-Garcia, E., et al. Org. Lett., 12, 860 (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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