3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione
Basic information
- CAS
20096-03-1- Standard SMILES
CCC1(CC)C(=O)NC=C(CO)C1=O- InChIKey
LRBLMOZKEZGJGQ-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione
- IUPAC
- 3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione
- English name
- 3,3-diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H-dione
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
20096-03-12,4(1H,3H)-Pyridinedione, 3,3-diethyl-5-(hydroxymethyl)-3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedioneDTXSID50173915RefChem:1065603DTXCID3096406243-509-53,3-DIETHYL-5-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROPYRIDINE-2,4-DIONE3,3-Diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H)-dioneBRN 0164679EINECS 243-509-53,3-Diethyl-5-hydroxymethyl-2,4-pyridinedione
Show more names
3,3-DIETHYL-5-(HYDROXYMETHYL)PYRIDINE-2,4(1H,3H)-DION3,3-diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H-dione
4-21-00-06415 (Beilstein Handbook Reference)LRBLMOZKEZGJGQ-UHFFFAOYSA-NNS00026516EN300-16209043,3-diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H-dione)
Database identifiers
- CAS
20096-03-1- PubChem CID
- 89269
- DTXSID
DTXSID50173915- EC Number
- 243-509-5
- Nikkaji
- J280.441G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 413.7 · 413.7±45.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Dichloromethane; Ethyl Acetate; Methanol
- form
- Solid
- pka
- 11.3 · 11.30±0.60(Predicted)
- color
- Pale Yellow
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
Uses3,3-Diethyl-5-(hydroxymethyl)-2,4-pyridinedione is an intermediate in the synthesis of Methyprylon (M338670), which is a sedative/hypnotic drug used for treating insomnia.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…