3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS#: 34562-31-7; 凯望编码 (ChemWhat Code): 8503

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE
IUPAC Name3,5-diethyl-1-phenyl-2-propyl-2H-pyridine
分子结构Structure of 3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS 34562-31-7
CAS编号 34562-31-7
EINECS Number252-091-3
MDL NumberMFCD00071789
Beilstein Registry NumberNo data available
别名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
分子式C18H25N
分子量255.405
InChIInChI=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 KeyIAAASXBHFUJLHW-UHFFFAOYSA-N
Canonical SMILESCCCC1C(CC)=CC(CC)=CN1c1ccccc1
Patent Information
Patent IDTitlePublication Date
US2024/99942RADICALLY POLYMERIZABLE COMPOSITION COMPRISING A REDOX INITIATOR SYSTEM BASED ON DIHYDROPYRIDINES2024
US2024/99942RADICALLY POLYMERIZABLE COMPOSITION COMPRISING A REDOX INITIATOR SYSTEM BASED ON DIHYDROPYRIDINES2024

Physical Data

AppearanceLight yellow to reddish liquid
Solubility53.23μg/L at 25℃
Flash Point148 °C
Refractive index1.5675 (estimate)
Boiling Point162-174 °C
Boiling Point, °CPressure (Boiling Point), Torr
1250.5
Refractive IndexWavelength (Refractive Index), nmTemperature (Refractive Index), °C
1.57458920

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)
Chemical shifts1Hchloroform-d1
Chemical shifts13Cchloroform-d1
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)
UV/VIS
Spectrummethanol220 – 360 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS 34562-31-7
Route of Synthesis (ROS) of 3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE CAS 34562-31-7
ConditionsYield
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)exclamation-mark
SignalWarning
GHS Hazard StatementsH302+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 CodesP261, 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 DownloadEnglish Version

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS Code293339
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD 660/kg
Druglikeness
Lipinski rules component
分子量255.403
logP5.264
HBA1
HBD0
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)3.24
Rotatable Bond (RotB)5
Matching Veber Rules2
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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