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| CAS No.: | 1121-07-9 |
|---|---|
| Name: | N-METHYLSUCCINIMIDE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C5H7NO2 |
| Molecular Weight: | 113.116 |
| Synonyms: | Succinimide,N-methyl- (6CI,7CI,8CI);1-Methyl-2,5-pyrrolidinedione;N-Methyl-2,5-pyrrolidinedione;N-Methylsuccinimide;NSC 11324; |
| EINECS: | -0 |
| Density: | 1.219 g/cm3 |
| Melting Point: | 61-70 °C(lit.) |
| Boiling Point: | 234 °C at 760 mmHg |
| Flash Point: | 105.9 °C |
| Appearance: | white crystals |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38-41 |
| Safety: | 26-36/37 |
| PSA: | 37.38000 |
| LogP: | -0.29690 |
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Specification
The 2,5-Pyrrolidinedione,1-methyl-, with the CAS registry number 1121-07-9, is also known as N-Methylsuccinimide. It belongs to the product categories of Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. This chemical's molecular formula is C5H7NO2 and molecular weight is 113.11. What's more, its systematic name is 1-methylpyrrolidine-2,5-dione. It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. What's more, it should be protected from oxides and water.
Physical properties of 2,5-Pyrrolidinedione,1-methyl- are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.25; (8)ACD/KOC (pH 7.4): 7.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 26.98 cm3; (15)Molar Volume: 92.7 cm3; (16)Polarizability: 10.69×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 47.07 kJ/mol; (21)Boiling Point: 234 °C at 760 mmHg; (22)Vapour Pressure: 0.0542 mmHg at 25°C.
Preparation of 2,5-Pyrrolidinedione,1-methyl-: this chemical can be prepared by 5-hydroxy-1-methyl-pyrrolidin-2-one at the ambient temperature. This reaction will need reagents RuO2 hydrate/10% aq. NaIO4 and solvents ethyl acetate, H2O with the reaction time of 28 hours. The yield is about 97%.
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Uses of 2,5-Pyrrolidinedione,1-methyl-: it can be used to produce 1,3-dimethyl-pyrrolidine-2,5-dione at the temperature of 20 °C. It will need reagent (Me2N)3PCMe2 and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 45%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=O)CCC1=O
(2)InChI: InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
(3)InChIKey: KYEACNNYFNZCST-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | > 2500mg/kg (2500mg/kg) | French Demande Patent Document. Vol. #2509610. | |
| rat | LD50 | oral | > 6gm/kg (6000mg/kg) | French Demande Patent Document. Vol. #2509610. |