2-KETOPYRROLIDINE

2-KETOPYRROLIDINE - Names and Identifiers

Name	2-Pyrrolidinone
Synonyms	2-P α-P α-PVR 2-Pyrol Butyrolactam Α-pyrrolidone 2-Pyrrolidone 2-Pyrrolidinone 2-Oxopyrrolidine 2-KETOPYRROLIDINE ALPHA-PYRROLIDONE 2-AZACYCLOPENTANONE PIPERIDINIC ACID LACTAM 2-Pyrrolidone Butyrolactam
CAS	616-45-5
EINECS	210-483-1
InChI	InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey	HNJBEVLQSNELDL-UHFFFAOYSA-N

2-KETOPYRROLIDINE - Physico-chemical Properties

Molecular Formula	C4H7NO
Molar Mass	85.1
Density	1.12 g/mL at 25 °C (lit.)
Melting Point	23-25 °C (lit.)
Boling Point	245 °C (lit.)
Flash Point	>230°F
Water Solubility	miscible
Solubility	H2O: miscible (completely)
Vapor Presure	0.04 hPa (20 °C)
Vapor Density	2.9 (vs air)
Appearance	Liquid or Low Melting Mass
Color	Clear colorless to pale yellow
Merck	14,8016
BRN	105241
pKa	16.62±0.20(Predicted)
PH	9-11 (100g/l, H2O, 20℃)
Storage Condition	2-8°C
Stability	Hygroscopic
Sensitive	Hygroscopic
Explosive Limit	1.8-16.6%(V)
Refractive Index	n20/D 1.487(lit.)
Physical and Chemical Properties	Density 1.103 melting point 25.5°C boiling point 250°C refractive index 1.486-1.488 flash point 138°C water-soluble miscible
Use	Used as raw materials and solvents for organic synthesis

2-KETOPYRROLIDINE - Risk and Safety

Risk Codes	22 - Harmful if swallowed
Safety Description	24/25 - Avoid contact with skin and eyes.
UN IDs	2810
WGK Germany	1
RTECS	UY5715000
TSCA	Yes
HS Code	29339980
Hazard Class	6.1(b)
Packing Group	III
Toxicity	LD50 orally in Rabbit: > 3200 mg/kg

2-KETOPYRROLIDINE - Upstream Downstream Industry

Raw Materials	gamma-butyrolactone Ammonium hydroxide Ammonia
Downstream Products	Piracetam

2-KETOPYRROLIDINE - Nature

Open Data Verified Data

colorless crystals (petroleum ether), above 25 °c as a liquid. The melting point of 23~25 deg C (24.6 deg C). Boiling point 245 ℃,133 ℃ (1. 6kPa). The relative density was 1. 120. Refractive index of 1. 4870, soluble in water and most organic solvents, difficult to dissolve in petroleum ether, the formation of monohydrate in humid air (boiling point 35 ℃). Chemical stability, non-corrosive. It is irritating to eyes, skin and mucous membranes.

Last Update：2024-01-02 23:10:35

2-KETOPYRROLIDINE - Preparation Method

Open Data Verified Data

The butanediol method is obtained by dehydrogenation to γ-butyrolactone; And then ammoniation.
The maleic anhydride method takes maleic anhydride as a raw material and is obtained by one-step hydrogenation and amination.

Last Update：2022-01-01 10:56:42

2-KETOPYRROLIDINE - Use

Open Data Verified Data

intermediate of y-aminobutyric acid. It is a raw material for Organic Synthesis (Synthesis of polyvinylpyrrolidone, polypyrrolidone, nylon 4, etc.), and is also used as a high boiling point solvent, coalescent agent, plasticizer.

Last Update：2022-01-01 10:56:42

2-KETOPYRROLIDINE - Safety

Open Data Verified Data

LD50 328mg/kg (Rat oral). Inhalation, ingestion or absorption through the skin is harmful to the body. Its vapors and aerosols are irritating to the eyes, mucous membranes and respiratory tract and skin. Closed operation, partial ventilation, wearing goggles, gloves, protective clothing when working.
200kg, galvanized iron drum packaging. Cool and ventilated warehouse, away from fire, fire, sunscreen, away from acids and oxidants.

Last Update：2022-01-01 10:56:43

2-KETOPYRROLIDINE - Reference Information

FEMA	4829 \| 2-PYRROLIDONE
LogP	-0.71 at 20℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
preparation	production of 2-pyrrolidone hydrocyanic acid (HCN) and acrylonitrile (AN) from hydrocyanic acid and acrylonitrile 2-pyrrolidone is prepared by the reaction, and the reaction process is as follows: 1) the addition reaction of HCN and AN IS carried out to form succinonitrile by using triethylamine as a catalyst. The reaction was carried out at atmospheric pressure and a temperature of about 70 ° C., and the yield of succinonitrile was as high as 97%. 2) partial hydrogenation and reduction of succinonitrile to aminobutyronitrile, reaction using carrier nickel as hydrogenation catalyst, total pressure 14.0 M P a, temperature 80~100 ℃, using liquid ammonia as solvent, succinonitrile conversion rate is close to 100%, the selectivity of amino nitrile was 85%. 3) the hydrolysis cyclization reaction of γ-aminobutyronitrile to produce 2-pyrrolidone is carried out in a plug-flow system at a temperature of 210 ° C., and both the nitrile conversion and the selectivity to the finished product are close to 100%.
Use	is useful as a solvent and an intermediate in organic synthesis. Used in the manufacture of nylon -4 and vinyl pyrrolidone. used as raw materials and solvents for organic synthesis organic synthesis intermediates, mainly used in the synthesis of resins, pesticides, polyols, inks and iodine solvents, but also the production of polyvinyl pyrrolidone, raw materials of nylon -4 and piracetam.
production method	is usually obtained by amination of γ-butyrolactone. Another method is using maleic anhydride as raw material, obtained by hydrogenation, ammoniation, the yield can reach 90%-92%.
spontaneous combustion temperature	395°C
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)

Last Update：2024-04-10 22:29:15

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