Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
1165-06-6- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1- InChIKey
VQZSDRXKLXBRHJ-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Names & identifiers
- Preferred name
- Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Diethyl2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
- Molecular formula
- C19H23NO4
- Molecular weight
- 329.39
Names & synonyms
1165-06-6diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylateE97NK89OBH3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-, DIETHYL ESTERNSC-63467DTXSID50151399Diethyl 4-phenyl-1,4-dihydro-2,6-lutidine-3,5-dicarboxylate1,4-Dihydro-2,6-dimethyl-4-phenyl-3,5-pyridinedicarboxylic acid diethyl ester3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-, 3,5-DIETHYL ESTER2,6-DIMETHYL-3,5-DICARBETHOXY-4-PHENYL-1,4-DIHYDROPYRIDINE3,5-DICARBETHOXY-2,6-DIMETHYL-4-PHENYL-1,4-DIHYDROPYRIDINE2,6-DIMETHYL-3,5-BIS(ETHOXYCARBONYL)-4-PHENYL-1,4-DIHYDROPYRIDINE
Show more names
1,4-diethyl-2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylateDIETHYLDIMETHYLPHENYLDIHYDROPYRIDINEDICARBOXYLATE 2641435-------diethyl 1,4-dihydro-2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
2,6-DIMETHYL-3,5-DIETHOXYCARBONYL-6-PHENYL-1,4-DIHYDROPYRIDINEDIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-PHENYL-3,5-PYRIDINEDICARBOXYLATEDIHYDRO-2,6-DIMETHYL-4-PHENYL-3,5-PYRIDINEDICARBOXYLIC ACID, DIETHYL ETHER, 1,4-RefChem:587080DTXCID3073890682-914-53,5-diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylateDIETHYL2,6-DIMETHYL-4-PHENYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
Database identifiers
- CAS
1165-06-6- PubChem CID
- 14420
- DTXSID
DTXSID50151399- ChEMBL
CHEMBL1099205- UNII
- E97NK89OBH
- EC Number
- 682-914-5
- Nikkaji
- J51.299K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 449.6 · 449.6±45.0 °C(Predicted)
- Density
- 1.25 g/cm3 · 1.25 g/cm3
- pka
- 3.12 · 3.12±0.70(Predicted)
- FDA UNII
- 97 NK89OBH · E97NK89OBH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDiethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is a pyridine derivative that can be synthesized by the reaction of benzaldehyde, ethyl acetoacetate and NH4HCO3[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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