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2,4-Dimethyl-3-ethylpyrrole
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Name

2,4-Dimethyl-3-ethylpyrrole

 EINECS 208-234-7
CAS No. 517-22-6 Density 0.925 g/cm3
PSA 15.79000 LogP 2.19390
Solubility N/A Melting Point 63.75°C (estimate)
Formula C8H13N Boiling Point 199.1 °C at 760 mmHg
Molecular Weight 123.198 Flash Point 71.7 °C
Transport Information N/A Appearance clear yellow to red-brown liquid
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 517-22-6 (2,4-Dimethyl-3-ethyl-1H-pyrrole) Hazard Symbols IrritantXi
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;

Article Data 39

2,4-Dimethyl-3-ethylpyrrole Synthetic route

2199-47-5

ethyl 3,5-dimethyl-4-ethylpyrrole-2-carboxylate

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
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
2386-26-7

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
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;
2386-25-6

2,4-dimethyl-3-acetylpyrrole

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
With lithium aluminium tetrahydride81%
With lithium aluminium tetrahydride In tetrahydrofuran for 4.5h; Heating;75%
With lithium aluminium tetrahydride In tetrahydrofuran at 85℃; for 4h;60%
1500-91-0

4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde

A

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

B

542-59-6

2-hydroxyethyl acetate

Conditions
ConditionsYield
With ethylene glycol; toluene-4-sulfonic acid In benzene for 0.25h; Heating;A 35%
B n/a

1-(2,4-dimethyl-pyrrol-3-yl)-ethanone-hydrazone

141-52-6

sodium ethanolate

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
at 150 - 160℃;

hemin

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
With hydrogen iodide; acetic acid
2386-26-7

ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

A

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

B

3-ethyl-2,4-dimethyl-pyrrol-1-ylamine

Conditions
ConditionsYield
With sodium ethanolate; hydrazine hydrate
1925-61-7

benzyl 4-ethyl-3,5-dimethylpyrrole-2-carboxylate

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
With methanol; nickel at 120℃; under 73550.8 Torr; Hydrogenation;

2-(4-ethyl-3,5-dimethyl-pyrrole-2-carbonyl)-benzoic acid

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
With hydrogen iodide; acetic acid
635-65-4

bilirubin

517-22-6

2,4-dimethyl-3-ethyl-pyrrole

Conditions
ConditionsYield
With hydrogen iodide; acetic acid

2,4-Dimethyl-3-ethylpyrrole Chemical Properties

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

2,4-Dimethyl-3-ethylpyrrole Toxicity Data With Reference

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.

2,4-Dimethyl-3-ethylpyrrole Safety Profile

Hazard Codes:IrritantXi
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

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