3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS#: 34562-31-7; ChemWhat Code: 8503
Identification
| Product Name | 3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE |
| IUPAC Name | 3,5-diethyl-1-phenyl-2-propyl-2H-pyridine |
| Molecular Structure |  |
| CAS Registry Number | 34562-31-7 |
| EINECS Number | 252-091-3 |
| MDL Number | MFCD00071789 |
| Beilstein Registry Number | No data available |
| Synonyms | 3,5-diethyl-1,2-dihydro-1-phenyl-2-propylpyridine3,5-diethyl-1-phenyl-2-propyl-1,2-dihydro-pyridine3,5-Diaethyl-1-phenyl-2-propyl-1,2-dihydro-pyridin |
| Molecular Formula | C18H25N |
| Molecular Weight | 255.405 |
| InChI | InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3 |
| InChI Key | IAAASXBHFUJLHW-UHFFFAOYSA-N |
| Canonical SMILES | CCCC1C(CC)=CC(CC)=CN1c1ccccc1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2024/99942 | RADICALLY POLYMERIZABLE COMPOSITION COMPRISING A REDOX INITIATOR SYSTEM BASED ON DIHYDROPYRIDINES | 2024 |
| US2024/99942 | RADICALLY POLYMERIZABLE COMPOSITION COMPRISING A REDOX INITIATOR SYSTEM BASED ON DIHYDROPYRIDINES | 2024 |
Physical Data
| Appearance | Light yellow to reddish liquid |
| Solubility | 53.23μg/L at 25℃ |
| Flash Point | 148 °C |
| Refractive index | 1.5675 (estimate) |
| Boiling Point | 162-174 °C |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 125 | 0.5 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.574 | 589 | 20 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| Chemical shifts | 1H | chloroform-d1 |
| Chemical shifts | 13C | chloroform-d1 |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| UV/VIS | ||
| Spectrum | methanol | 220 – 360 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: butyraldehyde; aniline With acetic acid at 20 – 75℃; for 6h; Heating / reflux; Stage #2: With sodium carbonate In water for 5h; Product distribution / selectivity; Heating / reflux; | 59% |
| With acetic acid In water at 0 – 90℃; for 8.58333h; Product distribution / selectivity; Heating / reflux; | 46% |
| With acetic acid In water at 20 – 75℃; | 45% |
| With acetic acid In water at 20 – 75℃; | 45% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302+H312 (15.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (46.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (22.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
| Precautionary Statement Codes | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
| SDS Download | English Version |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 293339 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD 660/kg |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 255.403 |
| logP | 5.264 |
| HBA | 1 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 3.24 |
| Rotatable Bond (RotB) | 5 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS 34562-31-7 Commonly used as rubber accelerator. |
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