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 |
4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
at 100 - 102℃; under 20 - 22 Torr; Yield given; |
γ-phylloporphyrin-XV
A
2,3-dimethyl-1H-pyrrole
B
2,4-dimethyl-1H-pyrrole
C
2,4-dimethyl-3-ethyl-pyrrole
D
4-ethyl-2,3-dimethyl-1H-pyrrole
E
3-(4,5-dimethyl-pyrrol-3-yl)-propionic acid methyl ester
F
methyl 2,4-dimethyl-3-pyrrolepropionate
Conditions | Yield |
---|---|
With hydrogen iodide Product distribution; structural analysis by degradative techniques; |
meso-porphyrin-II-dimethyl ester
A
2,4-dimethyl-3-ethyl-pyrrole
B
4-ethyl-2,3-dimethyl-1H-pyrrole
C
3-(4,5-dimethyl-pyrrol-3-yl)-propionic acid methyl ester
D
methyl 2,4-dimethyl-3-pyrrolepropionate
Conditions | Yield |
---|---|
With hydrogen iodide Product distribution; structural analysis by degradative techniques; |
etioporphyrin III
A
2,4-dimethyl-3-ethyl-pyrrole
B
4-ethyl-2,3-dimethyl-1H-pyrrole
Conditions | Yield |
---|---|
With hydrogen iodide Product distribution; structural analysis by degradative techniques; |
ethioporphyrin I
A
2,4-dimethyl-3-ethyl-pyrrole
B
4-ethyl-2,3-dimethyl-1H-pyrrole
Conditions | Yield |
---|---|
With hydrogen iodide Product distribution; structural analysis by degradative technique; |
mesoporphyrin IX DME
A
2,4-dimethyl-3-ethyl-pyrrole
B
4-ethyl-2,3-dimethyl-1H-pyrrole
C
3-(4,5-dimethyl-pyrrol-3-yl)-propionic acid methyl ester
D
methyl 2,4-dimethyl-3-pyrrolepropionate
Conditions | Yield |
---|---|
With hydrogen iodide Product distribution; structural analysis by degradative techniques; |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With methanol; platinum Hydrogenation; |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With sodium ethanolate; hydrazine hydrate at 160 - 165℃; unter Druck; |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With hydrogen iodide; acetic acid |
hydrogen iodide
acetic acid
A
3-ethyl-4-methyl-1H-pyrrole
B
2,4-dimethyl-3-ethyl-pyrrole
C
3-ethyl-2,4,5-trimethyl-1H-pyrrole
hydrogen iodide
(3-ethyl-5-bromo-4-methyl-pyrrol-2-yl)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)-methane; tribromoide
acetic acid
A
3-ethyl-4-methyl-1H-pyrrole
B
2,4-dimethyl-3-ethyl-pyrrole
C
3-ethyl-2,4,5-trimethyl-1H-pyrrole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 60 percent / Zn, AcOH / 1 h / Heating 2: 80 percent / KOH / ethane-1,2-diol / 5 h / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2, triethylamine / 10percent Pd/C / ethanol / 2 h 2: 100 - 102 °C / 20 - 22 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1) NaNO2, AcOH 2) Zn dust, AcOH / 1) H2O, 25 deg C, overnight 2) reflux, 24 h 2: 82 percent / KOH, NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether / 3 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: zinc; acetic acid 2: diborane 3: ethylene glycol; potassium hydroxide View Scheme | |
Multi-step reaction with 3 steps 1.1: sodium nitrite; acetic acid / water / 4 h / 20 °C / Cooling with ice 1.2: 1 h / 60 °C / Cooling with ice 2.1: potassium hydroxide / ethylene glycol / 4 h / 160 °C 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 85 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: acetic acid; sodium nitrite / water / 12 h / 0 - 25 °C 1.2: 1 h / 60 °C / Cooling with ice 2.1: potassium hydroxide / 1,2-dimethoxyethane / 4 h / 160 °C 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / Cooling with ice; Reflux View Scheme |
2,4-dimethyl-3-ethyl-pyrrole
methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
Conditions | Yield |
---|---|
With hydrogen bromide In tetrahydrofuran; methanol; water at 20℃; for 3h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
In toluene at 20℃; for 0.5h; Inert atmosphere; | 98% |
2,4-dimethyl-3-ethyl-pyrrole
ethyl (5-formyl-2,4-dimethyl-1H-pyrrole)-3-carboxylate
Conditions | Yield |
---|---|
With hydrogen bromide In tetrahydrofuran; methanol at 20℃; Inert atmosphere; | 98% |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With chloro-trimethyl-silane In dichloromethane at 20℃; for 0.5h; Schlenk technique; | 97% |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With chloro-trimethyl-silane In dichloromethane at 20℃; for 0.5h; Green chemistry; | 97% |
2,4-dimethyl-3-ethyl-pyrrole
2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)propanedinitrile
2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)malononitrile
Conditions | Yield |
---|---|
In acetic acid for 2h; Ambient temperature; | 95% |
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; magnesium bromide at 90℃; for 1h; | 95% |
2,4-dimethyl-3-ethyl-pyrrole
N-phenylthiophthalimide
3-ethyl-2,4-dimethyl-5-(phenylthio)-1H-pyrrole
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; magnesium bromide at 90℃; for 1h; | 95% |
2,4-dimethyl-3-ethyl-pyrrole
2-((4-methoxyphenyl)thio)isoindoline-1,3-dione
C15H19NOS
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; magnesium bromide at 90℃; for 1h; | 95% |
2,4-dimethyl-3-ethyl-pyrrole
C22H23IN2O2
1-(5-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-iodophenyl)methyl)-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Conditions | Yield |
---|---|
With acetyl chloride In methanol at -78 - 0℃; Inert atmosphere; | 95% |
With methanol; acetyl chloride at -78 - 0℃; for 1.5h; | 95% |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 0.0833333h; | 95% |
2,4-dimethyl-3-ethyl-pyrrole
boron trifluoride diethyl etherate
4-(prop-2-ynyloxy)benzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2,4-dimethyl-3-ethyl-pyrrole; 4-(prop-2-ynyloxy)benzaldehyde With trifluoroacetic acid In dichloromethane at 20℃; Inert atmosphere; Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere; Stage #3: boron trifluoride diethyl etherate With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 94% |
Stage #1: 2,4-dimethyl-3-ethyl-pyrrole; 4-(prop-2-ynyloxy)benzaldehyde With trifluoroacetic acid In dichloromethane at 25℃; for 12h; Inert atmosphere; Stage #2: In dichloromethane at 25℃; Inert atmosphere; Stage #3: boron trifluoride diethyl etherate With triethylamine In dichloromethane at 25℃; for 12h; Inert atmosphere; | 22% |
Stage #1: 2,4-dimethyl-3-ethyl-pyrrole; 4-(prop-2-ynyloxy)benzaldehyde Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone Stage #3: boron trifluoride diethyl etherate Alkaline conditions; |
2,4-dimethyl-3-ethyl-pyrrole
rac-(E)-1,3-diphenyl-3-acetoxy-prop-1-ene
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); C34H23P; potassium carbonate In toluene; acetonitrile at -20℃; for 38h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 93% |
2,4-dimethyl-3-ethyl-pyrrole
1-methyl-5-pyrrol-2-ylpyrrole-2-carbaldehyde
3-ethyl-2,4,12-trimethylprodigiosene hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol at 5℃; for 0.333333h; | 92% |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With acetyl chloride In methanol at -78 - 0℃; Inert atmosphere; | 92% |
With methanol; acetyl chloride at -78 - 0℃; for 1.5h; | 92% |
2,4-dimethyl-3-ethyl-pyrrole
3,7-bis(N,N-dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one
Conditions | Yield |
---|---|
Stage #1: 3,7-bis(N,N-dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one With trifluoromethylsulfonic anhydride In acetonitrile at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 2,4-dimethyl-3-ethyl-pyrrole In acetonitrile at 0 - 25℃; for 0.166667h; Inert atmosphere; | 90.1% |
Stage #1: 3,7-bis(N,N-dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one With trifluoromethylsulfonic anhydride Stage #2: 2,4-dimethyl-3-ethyl-pyrrole |
2,4-dimethyl-3-ethyl-pyrrole
2-ethylthioisoindoline-1,3-dione
C10H17NS
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; magnesium bromide at 90℃; for 1h; | 90% |
2,4-dimethyl-3-ethyl-pyrrole
bis(4-(methoxycarbonyl)phenyl)iodonium trifluoromethanesulfonate
Conditions | Yield |
---|---|
With tris(bipyridine)ruthenium(II) dichloride hexahydrate In acetonitrile at 25℃; for 12h; Inert atmosphere; Irradiation; Schlenk technique; | 90% |
2,4-dimethyl-3-ethyl-pyrrole
Conditions | Yield |
---|---|
With chloro-trimethyl-silane In 1,2-dichloro-ethane at 80 - 120℃; for 16h; Schlenk technique; | 90% |
With chloro-trimethyl-silane In dichloromethane at 80 - 120℃; Inert atmosphere; Sealed tube; | 90% |
2,4-dimethyl-3-ethyl-pyrrole
di-tert-butyl dicarbonate
Conditions | Yield |
---|---|
With dmap In acetonitrile at 20℃; for 1h; | 90% |
2,4-dimethyl-3-ethyl-pyrrole
benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Conditions | Yield |
---|---|
With hydrogen bromide In tetrahydrofuran; methanol at 20℃; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide; magnesium bromide at 90℃; for 1h; | 89% |
Conditions | Yield |
---|---|
With trichlorophosphate In dichloromethane at 20℃; for 12h; Cooling with ice; Inert atmosphere; | 89% |
2,4-dimethyl-3-ethyl-pyrrole
4-ethyl-3,5,N,N-tetramethylpyrrole-2-carboxamide
bis(4-ethyl-3,5-dimethyl-pyrrol-2-yl)ketone
Conditions | Yield |
---|---|
Stage #1: 4-ethyl-3,5,N,N-tetramethylpyrrole-2-carboxamide With trichlorophosphate at 50℃; for 0.25h; Stage #2: 2,4-dimethyl-3-ethyl-pyrrole In dichloromethane for 1.5h; Reflux; Stage #3: With sodium carbonate In dichloromethane; water for 2h; Reflux; | 89% |
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); C37H40NO4PSi2; potassium carbonate; N-Trimethylsilylacetamide In dichloromethane at 23℃; for 2h; Inert atmosphere; Schlenk technique; | 89% |
2,4-dimethyl-3-ethyl-pyrrole
3-methoxypyrrole-2-carboxaldehyde
A
3,5-dimethyl-4-ethyl-2-(3-methoxypyrrolyl-2-methylene)-2H-pyrrole
B
3,5-dimethyl-4-ethyl-2-(3-methoxypyrrolyl-2-methylene)-2H-pyrrolium dichlorophosphate
Conditions | Yield |
---|---|
With trichlorophosphate In dichloromethane; pentane for 1.01667h; Cooling; | A n/a B 86% |
2,4-dimethyl-3-ethyl-pyrrole
10-chloro-5,5-difluoro-5H-4λ4,5λ4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
C17H18BF2N3
Conditions | Yield |
---|---|
In toluene at 20℃; for 0.05h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
Stage #1: 2,4-dimethyl-3-ethyl-pyrrole; boron trifluoride diethyl etherate; (3,5-dimethyl-1H-pyrrol-2-yl)-p-tolyl-methanone at 20℃; for 2h; Schlenk technique; Inert atmosphere; Stage #2: With N-ethyl-N,N-diisopropylamine at 20℃; for 4h; Schlenk technique; Inert atmosphere; | 86% |
2,4-dimethyl-3-ethyl-pyrrole
benzyl 5-N,N-dimethylamido-3,4-dimethylpyrrole-2-carboxylate
benzyl 8-ethyl-2,3,7,9-tetramethyl-5-dipyrroketone-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: benzyl 5-N,N-dimethylamido-3,4-dimethylpyrrole-2-carboxylate With trichlorophosphate at 50℃; for 5h; Stage #2: 2,4-dimethyl-3-ethyl-pyrrole In dichloromethane at 30℃; Inert atmosphere; Stage #3: With water; sodium acetate In dichloromethane at 50℃; for 3h; Inert atmosphere; | 85.7% |
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
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