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| CAS No.: | 872-50-4 |
|---|---|
| Name: | 1-Methyl-2-pyrrolidinone |
| Molecular Structure: | |
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| Formula: | C5H9NO |
| Molecular Weight: | 99.1326 |
| Synonyms: | 2-Pyrrolidinone,1-methyl-;1-Methyl-5-pyrrolidinone;1-Methylazacyclopentan-2-one;1-Methylpyrrolidone;AgsolEx 1;M-Pyrol;Microposit 2001;N 0131;N-Methyl-2-ketopyrrolidine;N-Methyl-2-pyrrolidinone;N-Methyl-a-pyrrolidinone;N-Methylbutyrolactam;N-Methylpyrrolidone;NMP;NSC 4594;Pharmasolve;Pyrol M;SL 1332;N-Methyl-2-Pyrrolidone(NMP);N-methyl-pyrrolidone; |
| EINECS: | 212-828-1 |
| Density: | 1.033 |
| Melting Point: | -24 °C |
| Boiling Point: | 201.999 °C at 760 mmHg |
| Flash Point: | 86.111 °C |
| Solubility: | Water solubility: >=10 g/100 mL at 20 °C |
| Appearance: | colourless or light yellow liquid with an amine odour |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 45-65-36/38 |
| Safety: | 41 |
| PSA: | 20.31000 |
| LogP: | 0.17650 |
| Conditions | Yield |
|---|---|
| With water; ZSM-5 at 280℃; | 99% |
| In water at 300℃; under 75007.5 Torr; Concentration; | 99.9% |
| at 255℃; under 15001.5 Torr; for 3h; | 98.2% |
3-bromo-1-methyl-pyrrolidin-2-one
1-methyl-pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With indium; water at 20℃; for 6h; | 99% |
| Conditions | Yield |
|---|---|
| With 5.4 wt% Au/CeO2; water; oxygen In 1,4-dioxane at 80℃; under 760.051 Torr; for 3.5h; Catalytic behavior; Reagent/catalyst; Temperature; Concentration; Schlenk technique; | 97% |
| With iodosylbenzene In water for 36h; | 55% |
| With tert.-butylhydroperoxide; [Mn(GBOA)2(H2O)2]*(Cl)2*4H2O In acetonitrile at 50 - 55℃; | 49.4% |
| With carbonylchlorohydrido(4,5-bis((diisopropylphosphino)methyl)acridine)ruthenium(II); water; sodium hydroxide at 160℃; for 48h; Inert atmosphere; Schlenk technique; | 22% |
| With water; oxygen at 80℃; under 760.051 Torr; for 24h; Green chemistry; regioselective reaction; | > 99 %Chromat. |
cyclobutanone
N-Methyl-O-p-nitrophenylsulphonylhydroxylamine
1-methyl-pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| In chloroform 1.) -78 deg C, 2.) 25 deg C; | 96% |
| In chloroform at 25℃; | 96% |
| In chloroform at 25℃; other ketones, also with ketals, other reagent, other solvent; | 96% |
4-butanolide
dimethyl amine
methylamine
trimethylamine
1-methyl-pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| at 255℃; for 3h; | 94.8% |
| Conditions | Yield |
|---|---|
| With copper nanoparticles-decorated triazinetriamine derived porous organic polymer; polymethylhydrosiloxane In acetonitrile at 80℃; under 760.051 Torr; for 8h; Inert atmosphere; | 94% |
1-(dimethylchlorosilylmethyl)-2-pyrrolidone
A
1-methyl-pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With sodium isopropylate In isopropyl alcohol at 60℃; for 3h; | A 92% B 92% |
2-Benzyl-1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole
A
1-methyl-pyrrolidin-2-one
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 35℃; for 6h; | A n/a B 90% |
1-Methyl-2,2-dipropoxy-pyrrolidine
Biriperone
A
1-methyl-pyrrolidin-2-one
B
1-(4-Fluoro-phenyl)-4-(7-propyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[1',2':1,6]pyrido[3,4-b]indol-2-yl)-butan-1-one
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 35℃; for 6h; | A n/a B 90% |
Biriperone
2,2-dimethoxy-1-methylpyrrolidine
A
1-methyl-pyrrolidin-2-one
B
1-(4-Fluoro-phenyl)-4-(7-methyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[1',2':1,6]pyrido[3,4-b]indol-2-yl)-butan-1-one
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 35℃; for 6h; | A n/a B 90% |
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Reported in EPA TSCA Inventory.
DFG MAK: 19 ppm (80 mg/m3)
1-Methyl-2-pyrrolidinone, its cas register number is 872-50-4. It also can be called N-Methyl-2-pyrrolidinone ; N-Methyl-2-Pyrrolidone ; NMP ; and N-Methylpyrrolidone . It is hazardous, so the first aid measures and others should be known. In addition, N-methyl-pyrrolidone (CAS NO.872-50-4) could be stable at room temperature in closed containers under normal storage and handling conditions. It is not compatible with strong oxidizing agents, strong acids, strong bases, and you must not take it with incompatible materials, light, temperatures above 100 °C, exposure to moist air or water. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide.
Physical properties about 1-Methyl-2-pyrrolidinone are: (1)ACD/LogP: -0.637; (2)ACD/LogD (pH 5.5): -0.64; (3)ACD/LogD (pH 7.4): -0.64; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 10.73; (7)ACD/KOC (pH 7.4): 10.73; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 26.852 cm3; (11)Molar Volume: 96.268 cm3; (12)Polarizability: 10.645 10-24cm3; (13)Surface Tension: 33.7919998168945 dyne/cm; (14)Density: 1.03 g/cm3; (15)Flash Point: 86.111 °C; (16)Enthalpy of Vaporization: 43.821 kJ/mol; (17)Boiling Point: 201.999 °C at 760 mmHg; (18)Vapour Pressure: 0.29899999499321 mmHg at 25°C
Preparation of 1-Methyl-2-pyrrolidinone: 1-Methyl-2-pyrrolidinone (CAS NO.872-50-4) can be derived by the reaction of Γ-butyrolactone with amine .
Uses of 1-Methyl-2-pyrrolidinone: 1-Methyl-2-pyrrolidinone is used as intermediate for the synthesis of pharmaceuticals, agrochemicals, plasticizers, textile auxiliaries, stabilizers. It is also widely used in oil refining, pigments and cleaning, high polymer synthesis, chemicals, insulation materials, etc.
When you are using this chemical, please be cautious about it as the following:
1. In case of fire and/or explosion do not breathe fumes
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
3. Avoid exposure - obtain special instruction before use
You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3;
(2)InChIKey=SECXISVLQFMRJM-UHFFFAOYSA-N;
(3)SmilesC1(=O)N(CCC1)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 63300ug/kg (63.3mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987. | |
| mouse | LD50 | intraperitoneal | 3050mg/kg (3050mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1087-0695, | |
| mouse | LD50 | intravenous | 54500ug/kg (54.5mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987. | |
| mouse | LD50 | oral | 5130mg/kg (5130mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1087-0695, | |
| rabbit | LD50 | skin | 8gm/kg (8000mg/kg) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 84, 1974. | |
| rat | LCLo | inhalation | 1gm/m3 (1000mg/m3) | National Technical Information Service. Vol. OTS0534725, | |
| rat | LD50 | intraperitoneal | 2472mg/kg (2472mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1581, 1976. | |
| rat | LD50 | intravenous | 80500ug/kg (80.5mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987. | |
| rat | LD50 | oral | 3914mg/kg (3914mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1581, 1976. | |
| rat | LD50 | subcutaneous | > 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #4882359, | |
| rat | LD50 | unreported | 7gm/kg (7000mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 408, 1969. |
