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| CAS No.: | 25747-41-5 |
|---|---|
| Name: | 4-Hydroxy-2-pyrrolidone |
| Molecular Structure: | |
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| Formula: | C4H7NO2 |
| Molecular Weight: | 101.105 |
| Synonyms: | 4-Hydroxy-2-pyrrolidinone;DL-2-Oxo-4-hydroxypyrrolidine;b-Hydroxy-g-aminobutyrolactam;g-Amino-b-hydroxybutyric lactam; |
| Density: | 1.292 g/cm3 |
| Melting Point: | 120-122°C |
| Boiling Point: | 363.637 °C at 760 mmHg |
| Flash Point: | 173.722 °C |
| PSA: | 49.33000 |
| LogP: | -0.80400 |
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Specification
The CAS register number of 4-Hydroxy-2-pyrrolidone is 25747-41-5. It also can be called as 2-Pyrrolidinone,4-hydroxy- and the IUPAC name about this chemical is 4-hydroxypyrrolidin-2-one. It belongs to the following product categories, such as Oxiracetam, Drug Intermediates and so on.
Physical properties about 4-Hydroxy-2-pyrrolidone are: (1)ACD/LogP: -2.55; (2)ACD/LogD (pH 5.5): -2.55; (3)ACD/LogD (pH 7.4): -2.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 23.51 cm3; (14)Molar Volume: 78.2 cm3; (15)Polarizability: 9.32x10-24cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Enthalpy of Vaporization: 70.57 kJ/mol; (18)Boiling Point: 363.6 °C at 760 mmHg; (19)Vapour Pressure: 9.26E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by (+-)-4-amino-3-hydroxy-butyric acid. This reaction will need reagent Al2O3 and solvent toluene, pyridine. The reaction time is 24 hour(s) at heating. The yield is about 38%.
Uses of 4-Hydroxy-2-pyrrolidone: it can be used to produce 4-acetoxy-pyrrolidin-2-one with acetic acid anhydride at ambient temperature. This reaction will need reagent pyridine. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCC(O)C1
(2)InChI: InChI=1/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)
(3)InChIKey: IOGISYQVOGVIEU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)
(5)Std. InChIKey: IOGISYQVOGVIEU-UHFFFAOYSA-N