1-(3-Hydroxypropyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(3-Hydroxypropyl)pyrrolidin-2-one
• CAS No.: 62012-15-1
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.186
• Hs Code.: 2933790090
• European Community (EC) Number: 263-373-0
• UNII: ETN8F3SB4R
• DSSTox Substance ID: DTXSID30211066
• Nikkaji Number: J151.124F
• Wikidata: Q72481507
• Mol file: 62012-15-1.mol

Synonyms:1-(3-Hydroxypropyl)pyrrolidin-2-one;62012-15-1;1-(3-Hydroxypropyl)-2-pyrrolidone;N-(3-Hydroxypropyl)-2-pyrrolidone;EINECS 263-373-0;ETN8F3SB4R;1-(3-Hydroxypropyl)-2-pyrrolidinone;Hydroxypropylpyrrolidone;95%;2-Pyrrolidinone, 1-(3-hydroxypropyl)-;oxopyrrolidinepropanol;UNII-ETN8F3SB4R;SCHEMBL312170;1-(3-Hydroxypropyl)pyrrolidinone;DTXSID30211066;1-(3-hydroxypropyl)2-pyrrolidinone;1-(3hydroxypropyl)-2-pyrrolidinone;MFCD00059014;N-(3-hydroxypropyl)-2-pyrrolidinone;AKOS009159351;1-(3-hydroxy-propyl)-pyrrolidin-2-one;1-(3-Hydroxypropyl)-2-pyrrolidinone #;TS-01863;FT-0693633;H0541;D87262;1-(3-Hydroxypropyl)-2-pyrrolidinone, AldrichCPR

Chemical Property of 1-(3-Hydroxypropyl)pyrrolidin-2-one

Chemical Property:

• Refractive Index: 1.4910 to 1.4940
• Boiling Point: 327.9 °C at 760 mmHg
• PKA: 14.92±0.10(Predicted)
• Flash Point: 152.1 °C
• PSA: 40.54000
• Density: 1.119 g/cm³
• LogP: -0.07090
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

1-(3-hydroxypropyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-51-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)CCCO

Technology Process of 1-(3-Hydroxypropyl)pyrrolidin-2-one

There total 6 articles about 1-(3-Hydroxypropyl)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: 91.0%

1-(2-oxopyrrolidine)propanoic acid ethyl ester (61930-87-8) → 1-(3-hydroxypropyl)pyrrolidin-2-one (62012-15-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.3987/com-07-11096

Reference yield: 81.0%

4-butanolide (96-48-0) + propan-1-ol-3-amine (156-87-6) → 1-(3-hydroxypropyl)pyrrolidin-2-one (62012-15-1)

Guidance literature:

at 250 ℃; for 18h;

Reference yield: 59.3%

→ 1-(3-hydroxypropyl)pyrrolidin-2-one (62012-15-1) + 1-[3-[2-(1H-indol-5-yl)-5-[(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)carbonyl]phenoxy] propyl]-2-pyrrolidinone

Guidance literature:

upstream raw materials:

4-butanolide

propan-1-ol-3-amine

1-[3-(Tetrahydro-pyran-2-yloxy)-propyl]-pyrrolidin-2-one

3-(prop-2-enylamino)propan-1-ol

Downstream raw materials:

4-(2-oxopyrrolidin-1-yl)butanenitrile

C₁₃H₁₆N₂O₄

bis(N-hydroxypropylpyrrolidone) 2-vinylterephthalate

C₂₈H₃₂FN₅O₅

Refernces

• 1、 Riley, Darren L.,Michael, Joseph P.,De Koning, Charles B.. "New syntheses of (±)-tashiromine and (±)-epitashiromine via enaminone intermediates". supporting information. p. 2609 - 2613. Retrieved 2017/01/09.
• 2、 Bruno, Claudio,Catalano, Alessia,Desaphy, Jean-Francois,Cavalluzzi, Maria M.,Carocci, Alessia,Dipalma, Antonella,Franchini, Carlo,Lentini, Giovanni,Camerino, Diana Conte,Tortorella, Vincenzo. "Pilsicainide and its oxymethylene analog: Facile alternative syntheses and in vitro testing on human skeletal muscle sodium channels". . p. 2011 - 2026. Retrieved 2008/09/18.