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3-Ethyl-4-methyl-3-pyrrolin-2-one

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Name

3-Ethyl-4-methyl-3-pyrrolin-2-one

EINECS 616-364-4
CAS No. 766-36-9 Density 0.977 g/cm3
PSA 29.10000 LogP 1.17150
Solubility Slightly soluble in water. Melting Point 100-104 °C(lit.)
Formula C7H11NO Boiling Point 279 °C at 760 mmHg
Molecular Weight 125.17 Flash Point 156.6 °C
Transport Information N/A Appearance light yellow or white crystalline powder
Safety 22-24/25 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 766-36-9 (3-Ethyl-4-methyl-3-pyrrolin-2-one) Hazard Symbols IrritantXi
Synonyms

3-Pyrrolin-2-one,3-ethyl-4-methyl- (6CI,7CI,8CI);3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one;3-Ethyl-4-methyl-1,5-dihydropyrrol-2-one;3-Ethyl-4-methyl-2-oxo-3-pyrroline;3-Ethyl-4-methyl-3-pyrrolin-2-one;3-Ethyl-4-methyl-3-pyrroline-2-one;

Article Data 14

3-Ethyl-4-methyl-3-pyrrolin-2-one Synthetic route

184422-85-3

3-ethyl-4-methyl-5-p-toluenesulfonyl-3-pyrrolin-2-one

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol95%
With sodium tetrahydroborate76%
61892-80-6

1-acetyl-3-ethyl-4-methyl-1,5-dihydro-pyrrol-2-one

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With water; sodium carbonate Heating;90%
With water; sodium carbonate
With hydrogenchloride; methanol

1-benzyl-3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In toluene at 150℃; for 0.75h; Temperature; Time; Microwave irradiation; Sealed tube;86%

3-ethyl-1-(4-methoxybenzyl)-4-methyl-1,5-dihydro-2H-pyrrol-2-one

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With methoxybenzene; trifluoroacetic acid at 80℃; for 3h;81%
With ammonium cerium (IV) nitrate In water; acetonitrile at 20℃; for 2h;80%

4-acetylamino-2-ethyl-3-hydroxy-3-methyl-butyric acid ethyl ester

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With potassium hydroxide In methanol for 32h; Heating;75.7%

C12H19NO3

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water; ethyl acetate at 0 - 35℃; for 2h;75%
32928-30-6

3-ethyl-2-formyl-4-methylpyrrole

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With dihydrogen peroxide; sodium hydrogencarbonate In methanol at 20℃;67%
408338-28-3

3-ethyl-2-methoxy-4-methyl-pyrrole

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With hydrogenchloride; methanol
408338-52-3

4-ethyl-5-bromo-3-methyl-pyrrole-2-carboxylic acid

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With hydrogenchloride; water
Multi-step reaction with 2 steps
1: aqueous hydrochloric acid
2: hydrogen chloride; methanol
View Scheme
32928-30-6

3-ethyl-2-formyl-4-methylpyrrole

A

766-45-0

4-ethyl-3-methyl-1H-pyrrol-2(5H)-one

B

766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

Conditions
ConditionsYield
With pyridine; dihydrogen peroxide at 50 - 60℃;

3-Ethyl-4-methyl-3-pyrrolin-2-one Specification

The 3-Ethyl-4-methyl-3-pyrrolin-2-one, with the CAS registry number 766-36-9, has the systematic name of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one. It is a kind of light yellow or white crystalline powder, and belongs to the following product categories: Pharmacetical; (Intermediate of glimepiride); Building Blocks; Heterocyclic Building Blocks; Pyrrolines. And it is usually used as Glimepiride intermediate. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. The molecular formula of this chemical is C7H11NO.

Physical properties of 3-Ethyl-4-methyl-3-pyrrolin-2-one are: (1)ACD/LogP: 0.345; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1.08; (5)ACD/BCF (pH 7.4): 1.08; (6)ACD/KOC (pH 5.5): 36.70; (7)ACD/KOC (pH 7.4): 36.70; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 35.556 cm3; (13)Molar Volume: 128.089 cm3; (14)Polarizability: 14.095 10-24cm3; (15)Surface Tension: 27.8759994506836 dyne/cm; (16)Density: 0.977 g/cm3; (17)Flash Point: 156.579 °C; (18)Enthalpy of Vaporization: 51.761 kJ/mol; (19)Boiling Point: 278.957 °C at 760 mmHg; (20)Vapour Pressure: 0.00400000018998981 mmHg at 25°C

Uses of 3-Ethyl-4-methyl-3-pyrrolin-2-one: It can react with 3,4-diethyl-5-formyl-pyrrole-2-carboxylic acid ethyl ester to produce 3,4-diethyl-5-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-1H-pyrrole-2-carboxylic acid. This reaction will need reagent aq. KOH, and the menstruum methanol. The reaction time is 1 hour with heating, and the yield is about 78%.   

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C(=C(/C)CN1)CC
(2)InChI: InChI=1/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
(3)InChIKey: YCTNTSVMJWIYTQ-UHFFFAOYAD

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