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CAS No.: | 517-22-6 |
---|---|
Name: | 2,4-Dimethyl-3-ethyl-1H-pyrrole |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C8H13N |
Molecular Weight: | 123.198 |
Synonyms: | Pyrrole,3-ethyl-2,4-dimethyl- (6CI,7CI,8CI);2,4-Dimethyl-3-ethylpyrrole;3-Ethyl-2,4-dimethyl-1H-pyrrole;3-Ethyl-2,4-dimethylpyrrole;Cryptopyrrole;Kryptopyrrol;Kryptopyrrole;NSC 62025; |
EINECS: | 208-234-7 |
Density: | 0.925 g/cm3 |
Melting Point: | 63.75°C (estimate) |
Boiling Point: | 199.1 °C at 760 mmHg |
Flash Point: | 71.7 °C |
Appearance: | clear yellow to red-brown liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 15.79000 |
LogP: | 2.19390 |
Conditions | Yield |
---|---|
With sodium hydroxide In ethylene glycol for 1h; Heating; | 100% |
With potassium hydroxide In ethylene glycol for 5h; Heating; | 80% |
With ethylene glycol; potassium hydroxide; hydrazinium sulfate In tetrahydrofuran for 2h; Reflux; | 76% |
With sodium hydroxide In methanol; water for 2h; Heating; | 17% |
With ethylene glycol; potassium hydroxide |
Conditions | Yield |
---|---|
With potassium hydroxide; hydrazine hydrate In diethylene glycol for 3h; Heating; | 82% |
With potassium hydroxide; hydrazine hydrate In diethylene glycol Heating; | 75% |
With sodium ethanolate; hydrazine hydrate at 165 - 170℃; im Autoklaven; |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride | 81% |
With lithium aluminium tetrahydride In tetrahydrofuran for 4.5h; Heating; | 75% |
With lithium aluminium tetrahydride In tetrahydrofuran at 85℃; for 4h; | 60% |
4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde
A
2,4-dimethyl-3-ethyl-pyrrole
B
2-hydroxyethyl acetate
Conditions | Yield |
---|---|
With ethylene glycol; toluene-4-sulfonic acid In benzene for 0.25h; Heating; | A 35% B n/a |
Conditions | Yield |
---|---|
at 150 - 160℃; |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With hydrogen iodide; acetic acid |
Conditions | Yield |
---|---|
With sodium ethanolate; hydrazine hydrate |
Conditions | Yield |
---|---|
With methanol; nickel at 120℃; under 73550.8 Torr; Hydrogenation; |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With hydrogen iodide; acetic acid |
Conditions | Yield |
---|---|
With hydrogen iodide; acetic acid |
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Molecular Structure:Molecular Formula: C8H13N
Molecular Weight: 123.2
IUPAC Name: 3-Ethyl-2,4-dimethyl-1H-pyrrole
CAS No: 517-22-6
H bond acceptors: 1
H bond donors: 1
#Freely Rotating Bonds: 1
Polar Surface Area: 4.93 Å2
Index of Refraction: 1.511
Molar Refractivity: 39.88 cm3
Molar Volume: 133.1 cm3
Surface Tension: 32.8 dyne/cm
Density: 0.925 g/cm3
Flash Point: 71.7 °C
Enthalpy of Vaporization: 41.75 kJ/mol
Boiling Point: 199.1 °C at 760 mmHg
Vapour Pressure: 0.491 mmHg at 25°C
InChI: InChI=1/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3
InChIKey: ZEBBLOXDLGIMEG-UHFFFAOYAU
Std. InChI: InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3
Std. InChIKey: ZEBBLOXDLGIMEG-UHFFFAOYSA-N
Synonyms of 1H-Pyrrole,3-ethyl-2,4-dimethyl- (CAS No.517-22-6): Timtec-bb sbb004274 ; Kryptopyrrole ; Cryptopyrrole ; 'mauve factor' reagent ; 3-Ethyl-2,4-dimethylpyrrol ; 3-Ethyl-2,4-dimethylpyrrole ; 2,4-Dimethyl-3-ethyl-1H-pyrrole ; 2,4-Dimethyl-3-ethylpyrrole
Product Categories: Pharmaceutial intermediates
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 77mg/kg (77mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968. |
Hazard Codes:Xi
Risk Statements:36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:26-36-37/39
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany:3
RTECS:UX9629500