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3,5-Diethyl 1,4-Dihydro-2,4,6-Trimethyl-3,5-Pyridinedicarboxylate
CAS: 632-93-9 | C14H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
632-93-9
Molecular Formula:
C14H21NO4
Molecular Mass:
267.33 g/mol
Names and Synonyms:
3,5-Diethyl 1,4-Dihydro-2,4,6-Trimethyl-3,5-Pyridinedicarboxylate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, 3,5-diethyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester
3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
3,5-Dicarbethoxy-1,4-dihydrocollidine
1,4-Dihydro-2,4,6-trimethyl-3,5-dicarbethoxypyridine
1,4-Dihydro-3,5-dicarbethoxycollidine
3,5-Bis(ethoxycarbonyl)-1,4-dihydro-2,4,6-trimethylpyridine
3,5-Diethoxycarbonyl-1,4-dihydro-2,4,6-trimethylpyridine
Diethyl 1,4-dihydro-2,4,6-trimethylpyridine-3,5-dicarboxylate
3,5-Dicarbethoxy-1,4-dihydro-2,4,6-trimethylpyridine
3,5-(Diethoxycarbonyl)-1,4-dihydrocollidine
1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester
DDC
3,5-Diethoxycarbonyl-1,4-dihydro-s-collidine
3,5-Bis(ethoxycarbonyl)-1,4-dihydrocollidine
2,4,6-Trimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridine
DDC (porphyrinogen)
Diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3,5-Bis(ethoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine
NSC 49528
NSC 8910
Diethyl 2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxylate
3,5-Diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Identifiers:
SMILES:
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C
InChI:
InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
Key Properties
Melting Point
131-132 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.33 g/mol | CAS Common Chemistry |
| 267.325 g/mol | RDKit | |
| 267.147058152 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C1=C(NC(=C(C(=O)OCC)C1C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CDVAIHNNWWJFJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.63 Ų | RDKit |
| LogP | 1.8999 | RDKit |
| Molar Refractivity | 70.96570000000003 | RDKit |
