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Cas Database |
| Name |
1-Ethyl-2-pyrrolidinone |
EINECS | 220-250-6 |
| CAS No. | 2687-91-4 | Density | 0.993 g/cm3 |
| PSA | 20.31000 | LogP | 0.56660 |
| Solubility | 1000g/L at 23℃ | Melting Point |
87.5-88.5 °C |
| Formula | C6H11NO | Boiling Point | 203.6 °C at 760 mmHg |
| Molecular Weight | 113.159 | Flash Point | 76.1 °C |
| Transport Information | N/A | Appearance | clear liquid |
| Safety | 26-36 | Risk Codes | 22-36 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1-Ethyl-2-pyrrolidone;1-Ethylazacyclopentan-2-one;N-Ethyl-a-pyrrolidinone;N-Ethyl-g-butyrolactam;N-Ethylbutyrolactam;N-Ethylpyrrolidone;NEP;NEP 100;1-Ethyl-2-pyrrolidinone; |
Article Data | 53 |
1-Ethyl-2-pyrrolidinone Synthetic route
| Conditions | Yield |
|---|---|
| With C7H14N3(1+)*Cl(1-); sodium triethylborohydride; cobalt(II) chloride In tetrahydrofuran at 25℃; under 7500.75 Torr; for 16h; | 99% |
| With ammonium formate; palladium on activated charcoal In methanol for 0.5h; Heating; | 94% |
| With oxygen; hydrazine hydrate; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride In water at 100℃; under 760.051 Torr; for 18h; | 88% |
| Conditions | Yield |
|---|---|
| In water; ethylene glycol at 290℃; under 38787.1 Torr; Kinetics; Temperature; Concentration; Flow reactor; | 93.9% |
| at 300℃; | |
| at 215℃; |
- 88-12-0
1-ethenyl-2-pyrrolidinone
- 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
A
- 2687-91-4
1-ethyl-2-pyrrolidinone
B
- 1190639-19-0
1-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl)pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With Rh(acac)(dppb) In tetrahydrofuran for 18h; Inert atmosphere; regioselective reaction; | A n/a B 83% |
| Conditions | Yield |
|---|---|
| dirhodium tetraacetate In dichloromethane at 40℃; for 5h; | 77% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-pyrrolidinon; ethyl bromide With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h; Stage #2: at 0℃; | 75% |
- 14468-90-7
N-trimethylsilyl-pyrrolidin-2-one
- 515-46-8
Ethyl benzenesulfonate
A
- 2687-91-4
1-ethyl-2-pyrrolidinone
B
- 17882-06-3
trimethylsilyl benzenesulfonate
| Conditions | Yield |
|---|---|
| Heating; | A 59% B 72% |
| Conditions | Yield |
|---|---|
| ZSM-5 | 69% |
| Conditions | Yield |
|---|---|
| ZSM-5 | A 68% B 13% |
| Conditions | Yield |
|---|---|
| With silver tetrafluoroborate; dibromo[1,3-dihydro-1-(2-pyridinyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ylidene]platinum(II) In nitrobenzene-d5 at 20 - 150℃; under 4125.41 Torr; for 26h; Inert atmosphere; | 59% |
- 6112-00-1
N,N-diethyl-2-diazoacetamide
A
- 2687-91-4
1-ethyl-2-pyrrolidinone
B
- 31366-13-9
1-ethyl-4-methyl-2-azetidinone
C
- 111328-65-5
C12H22N2O2
| Conditions | Yield |
|---|---|
| With Cu(1+)*HB(C3N2Br3)3(1-)=(HB(C3N2Br3)3)Cu In dichloromethane at 20℃; Inert atmosphere; chemoselective reaction; | A 51% B 20% C 17% |
| With copper(I) hydrotris(3,5-dimethylpyrazol-1-yl)borate In dichloromethane at 20℃; Inert atmosphere; chemoselective reaction; |
1-Ethyl-2-pyrrolidinone Chemical Properties
Molecular Formula: C6H11NO
Molecular Weight: 113.16
EINECS: 220-250-6
Index of Refraction: 1.464
Molar Refractivity: 31.47 cm3
Molar Volume: 113.8 cm3
Surface Tension: 32.6 dyne/cm
Density: 0.993 g/cm3
Flash Point: 76.1 °C
Enthalpy of Vaporization: 43.98 kJ/mol
Boiling Point: 203.6 °C at 760 mmHg
Vapour Pressure: 0.276 mmHg at 25 °C
Appearance: Clear liquid
Structure of 1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4):
IUPAC Name: 1-Ethylpyrrolidin-2-one
Canonical SMILES: CCN1CCCC1=O
InChI: InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKey: ZFPGARUNNKGOBB-UHFFFAOYSA-N
Product Category of 1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4): Heterocyclic Building Blocks;Pyrrolidines
1-Ethyl-2-pyrrolidinone Uses
1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4) is mainly used in the production of pharmaceuticals, dyestuff, pesticide, etc.
1-Ethyl-2-pyrrolidinone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1350mg/kg (1350mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988. |
| rat | LD50 | subcutaneous | > 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #4882359, |
1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
1-Ethyl-2-pyrrolidinone Consensus Reports
Reported in EPA TSCA Inventory.
1-Ethyl-2-pyrrolidinone Safety Profile
Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx.Potential
The Hazard Codes: 
Xn
The Risk Statements:
22: Harmful if swallowed
26: Very Toxic by inhalation
The Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
1-Ethyl-2-pyrrolidinone Specification
1-Ethyl-2-pyrrolidinone , its cas register number is 2687-91-4. It also can be called N-Ethylpyrrolidinone ; NEP ; and N-Ethyl-2-pyrrolidone . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately.
In addition, 1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong acids, strong bases, acid chlorides, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
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