1-(2-Hydroxyethyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(2-Hydroxyethyl)pyrrolidin-2-one
• CAS No.: 3445-11-2
• Molecular Formula: C6H11 N O2
• Molecular Weight: 129.159
• Hs Code.: 2933790090
• European Community (EC) Number: 222-359-4
• UNII: 297G099QOU
• DSSTox Substance ID: DTXSID7044922
• Nikkaji Number: J26.035E
• Wikidata: Q27254401
• ChEMBL ID: CHEMBL3185308
• Mol file: 3445-11-2.mol

Synonyms:1-(2-Hydroxyethyl)pyrrolidin-2-one;3445-11-2;1-(2-Hydroxyethyl)-2-pyrrolidone;N-(2-Hydroxyethyl)-2-pyrrolidone;1-(2-Hydroxyethyl)-2-pyrrolidinone;2-Pyrrolidinone, 1-(2-hydroxyethyl)-;N-2-Hydroxyethylpyrrolidin-2-one;BRN 0112181;DTXSID7044922;297G099QOU;EINECS 222-359-4;1-(2-hydroxy-ethyl)-pyrrolidin-2-one;n-hydroxyethylpyrrolidone;SCHEMBL39045;UNII-297G099QOU;2-hydoxyethyl-pyrrolidin-2-one;2-(2-pyrrolidon-1-yl)ethanol;CHEMBL3185308;DTXCID5024922;WDQFELCEOPFLCZ-UHFFFAOYSA-;2-hydroxy-ethyl-pyrrolidin-2-one;2-(2-oxopyrrolidin-1-yl)ethanol;1-(2-hydroxy-ethyl)-2-pyrrolidone;N-(2-hydroxyethyl)-2-Pyrrolidinone;Tox21_301700;1-(2-hydroxyethyl)-2-pyrrolizinone;2-(2-oxo-pyrrolidin-1-yl)-ethanol;MFCD00014103;N-(2-hydroxyethyl)-pyrrolidin-2-one;N-(2-HYDROXYETHYL)PYRROLIDONE;1-(2-hydroxyethyl)-pyrrolidin-2-one;2-Pyrrolidinone, 1-(2-hydroxyethyl);AKOS000119587;N-(2-hydroxyethyl)-2-oxo-pyrrolidine;AT12426;CS-W009539;FG-0408;NCGC00256132-01;1-(2-Hydroxyethyl)-2-pyrrolidone, 98%;CAS-3445-11-2;1-(2-HYDROXYLETHYL)-2-PYRROLIDONE;LS-138839;1-(2-HYDROXYETHYL)-2-OXOPYRROLIDINE;FT-0629136;H0408;EN300-20494;1-(.BETA.-HYDROXYETHYL)-2-PYRROLIDONE;EC 222-359-4;HYDROXYETHYL)-2-PYRROLIDINONE, 1-(2-;N-(.BETA.-HYDROXYETHYL)-2-PYRROLIDONE;N-(.BETA.-HYDROXYETHYL)-2-PYRROLIDINONE;5-21-06-00341 (Beilstein Handbook Reference);A822241;W-106735;Q27254401;Z104478410

Chemical Property of 1-(2-Hydroxyethyl)pyrrolidin-2-one

Chemical Property:

• Appearance/Colour: deep brown to yellow liquid
• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 19-21°C
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 140-142 ºC (3 mmHg)
• PKA: 14.49±0.10(Predicted)
• Flash Point: 100 ºC
• PSA: 40.54000
• Density: 1.143
• LogP: -0.46100
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1000g/L at 20℃
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99.0% min ^*data from raw suppliers

1-(2-Hydroxyethyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: C1CC(=O)N(C1)CCO
• Uses: 1-(2-Hydroxyethyl)-2-pyrrolidone may be used in chemical synthesis.

Technology Process of 1-(2-Hydroxyethyl)pyrrolidin-2-one

There total 12 articles about 1-(2-Hydroxyethyl)pyrrolidin-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

4-butanolide (96-48-0) + ethanolamine (141-43-5) → 1-(2-hydroxyethyl)-2-pyrrolidinone (3445-11-2)

Guidance literature:

at 270 ℃; for 6h;

DOI:10.1007/BF00763382

Reference yield: 85.0%

methyl-2-oxopyrrolidine-1-acetate (59776-88-4) → 1-(2-hydroxyethyl)-2-pyrrolidinone (3445-11-2)

Guidance literature:

With Cp*RuCl(2-C₅H₄CH₂NH₂); hydrogen; sodium methylate; In isopropyl alcohol; at 100 ℃; for 23h; under 37503.8 Torr; Autoclave;

DOI:10.1021/ja1117254

Reference yield: 80.6%

→ 1-(2-hydroxyethyl)-2-pyrrolidinone (3445-11-2) + 1-[2-[2-(1H-indol-5-yl)-5-[(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)carbonyl]phenoxy ethyl]-2-pyrrolidinone

Guidance literature:

upstream raw materials:

oxirane

pyrrolidine

2-pyrrolidinon

4-butanolide

Downstream raw materials:

N-(β-Bromoethyl)-2-pyrrolidone

Diethyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2-(2-oxo-pyrrolidin-1-yl)-ethyl ester

2-pyrrolidinon

1-ethyl-2-pyrrolidinone

Refernces

• 1、 Haus, Moritz O.,Meledin, Alexander,Leiting, Sebastian,Louven, Yannik,Roubicek, Nico C.,Moos, Sven,Weidenthaler, Claudia,Weirich, Thomas E.,Palkovits, Regina. "Correlating the Synthesis, Structure, and Catalytic Performance of Pt-Re/TiO2for the Aqueous-Phase Hydrogenation of Carboxylic Acid Derivatives". . p. 5119 - 5134. Retrieved 2021/05/10.
• 2、 Mitsudome, Takato,Miyagawa, Kazuya,Maeno, Zen,Mizugaki, Tomoo,Jitsukawa, Koichiro,Yamasaki, Jun,Kitagawa, Yasutaka,Kaneda, Kiyotomi. "Mild Hydrogenation of Amides to Amines over a Platinum-Vanadium Bimetallic Catalyst". supporting information. p. 9381 - 9385. Retrieved 2017/08/01.