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| CAS No.: | 766-36-9 |
|---|---|
| Name: | 3-Ethyl-4-methyl-3-pyrrolin-2-one |
| Molecular Structure: | |
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|
| Formula: | C7H11NO |
| Molecular Weight: | 125.17 |
| 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; |
| EINECS: | 616-364-4 |
| Density: | 0.977 g/cm3 |
| Melting Point: | 100-104 °C(lit.) |
| Boiling Point: | 279 °C at 760 mmHg |
| Flash Point: | 156.6 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | light yellow or white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 22-24/25 |
| PSA: | 29.10000 |
| LogP: | 1.17150 |
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3-ethyl-4-methyl-5-p-toluenesulfonyl-3-pyrrolin-2-one
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3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol | 95% |
| With sodium tetrahydroborate | 76% |
- 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 | Yield |
|---|---|
| With water; sodium carbonate Heating; | 90% |
| With water; sodium carbonate | |
| With hydrogenchloride; methanol |
- 766-36-9
3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In toluene at 150℃; for 0.75h; Temperature; Time; Microwave irradiation; Sealed tube; | 86% |
- 766-36-9
3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| With methoxybenzene; trifluoroacetic acid at 80℃; for 3h; | 81% |
| With ammonium cerium (IV) nitrate In water; acetonitrile at 20℃; for 2h; | 80% |
- 766-36-9
3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 32h; Heating; | 75.7% |
- 766-36-9
3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
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4-ethyl-3-methyl-1H-pyrrol-2(5H)-one
B
- 766-36-9
3-ethyl-4-methyl-3-pyrrolin-2-one
| Conditions | Yield |
|---|---|
| With pyridine; dihydrogen peroxide at 50 - 60℃; |
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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