CAS No.2555-05-7,3-METHYL-2-PYRROLIDINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2555-05-7
Name:	3-METHYL-2-PYRROLIDINONE
Article Data:	28

Formula:	C₅H₉NO
Molecular Weight:	99.1326
Synonyms:	3-Methyl-2-pyrrolidinone;3-Methyl-2-pyrrolidone;
EINECS:	219-865-2
Density:	0.979 g/cm³
Melting Point:	55°C
Boiling Point:	240.5 °C at 760 mmHg
Flash Point:	127.5 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	29.10000
LogP:	0.47120

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Specification

The 2-Pyrrolidinone,3-methyl-, with the CAS registry number 2555-05-7, is also known as (R,S)-3-Methyl-pyrrolidin-2-one. It belongs to the product category of Pyrrolidines.This chemical's molecular formula is C₅H₉NO and molecular weight is 99.13. Its EINECS registry number is 219-865-2. What's more, its IUPAC name is 3-Methylpyrrolidin-2-one.

Physical properties about this chemical are: (1)ACD/LogP: -0.96; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.15; (8)ACD/KOC (pH 7.4): 7.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 26.63 cm³; (15)Molar Volume: 101.2 cm³; (16)Polarizability: 10.55×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 127.5 °C; (20)Enthalpy of Vaporization: 47.75 kJ/mol; (21)Boiling Point: 240.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0377 mmHg at 25 °C.

Preparation of 2-Pyrrolidinone,3-methyl: this chemical can be prepared by 2-Methyl-4-aminobutyric acid. This reaction needs reagents Triphenylphosphine and Dipyridyl disulfide. The reaction needs solvent Acetonitrile on condition of heating. The reaction time is 4.5 hours. The yield is 62 %.

Preparation of 2-Pyrrolidinone,3-methyl: this chemical can be prepared by 2-Methyl-4-aminobutyric acid.

Uses of 2-Pyrrolidinone,3-methyl: it can react with Bromomethyl-benzene to give 3-Methyl-1-phenylmethylpyrrolidin-2-one. The reaction occurs with reagent 60 percent NaH and other condition of heating for 13 hours. The yield is 93 %. The reaction needs solvent Xylene.

Uses of 2-Pyrrolidinone,3-methyl: it can react with Bromomethyl-benzene to give 3-Methyl-1-phenylmethylpyrrolidin-2-one.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCC1C
(2) InChI: InChI=1/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)
(3) InChIKey: AOCWQPKHSMJWPL-UHFFFAOYAO