2-Pyrrolidinone

Base Information

• Chemical Name: 2-Pyrrolidinone
• CAS No.: 22580-55-8
• Molecular Formula: C4H7NO
• Molecular Weight: 325.82
• Hs Code.: 29337900
• European Community (EC) Number: 210-483-1
• ICSC Number: 0562
• NSC Number: 8413,4593
• UNII: KKL5D39EOL
• DSSTox Substance ID: DTXSID8027246
• Nikkaji Number: J1.663B
• Wikipedia: 2-Pyrrolidone
• Wikidata: Q285640
• RXCUI: 1358473
• Pharos Ligand ID: 1Z4FCLDQPKFW
• Metabolomics Workbench ID: 37989
• ChEMBL ID: CHEMBL276849
• Mol file: 22580-55-8.mol

Synonyms:2-pyrrolidinone;2-pyrrolidone;2-pyrrolidone, (18)O-labeled;2-pyrrolidone, 5-(14)C-labeled;2-pyrrolidone, aluminum salt;2-pyrrolidone, cerium salt;2-pyrrolidone, hydrobromide;2-pyrrolidone, hydrochloride;2-pyrrolidone, hydrotribromide;2-pyrrolidone, lithium salt;2-pyrrolidone, potassium salt;2-pyrrolidone, rubidium salt;2-pyrrolidone, sodium salt

Chemical Property of 2-Pyrrolidinone

Chemical Property:

• Melting Point: 88-90 °C(lit.)
• Boiling Point: 245°Cat760mmHg
• Flash Point: 135.5°C
• PSA: 29.10000
• Density: 1.047g/cm³
• LogP: 2.87450
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Very sol in alcohol, ether, benzene, chloroform, carbon disulfide. Infinitely soluble in water.
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 69.9

Purity/Quality:

97% ^*data from raw suppliers

Pyrrolidone hydrotribromide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: C1CC(=O)NC1
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the skin, eyes and respiratory tract.
• Uses: Pyrrolidone hydrotribromide was used as a brominating agent.

Refernces

Synthetic Studies on Terpenoids. Part 21. Synthesis of a Few Perhydro-phenanthrene Derivatives related to Cheilanthatriol and its Degradation Products

10.1039/P19810001603

The research focuses on the synthesis of perhydro-phenanthrene derivatives related to cheilanthatriol, a tricyclic sesterterpene. The primary purpose of the study was to achieve stereospecific syntheses of key intermediates, specifically 10a-hydroxy-1,1,4a,8a-tetramethyl-trans-transoid-trans-2,3,4,4a,4b,5,7,8,8a,9,10,10a-dodecahydrophenanthren-6(1H)-one (9) and 1,1,4a,8a-tetramethyl-8a-(3-methylpentanoyl)-2,3,4,4a,4b,5,7,8,8a,9-decahydrophenanthren-6(1H)-one (15). These compounds are potential intermediates in the synthesis of cheilanthatriol. The researchers used various chemical reactions and reagents, including Wolff-Kishner reduction, hydroboration, bromination, and conjugate addition, employing reagents such as lithium, liquid ammonia, sodium dichromate, and pyrrolidone hydrotribromide.

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