1-(4-Hydroxyphenyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(4-Hydroxyphenyl)pyrrolidin-2-one
• CAS No.: 7517-07-9
• Molecular Formula: C10H11 N O2
• Molecular Weight: 177.203
• Hs Code.: 2933790090
• European Community (EC) Number: 869-213-1
• DSSTox Substance ID: DTXSID20354870
• Nikkaji Number: J2.305.044G
• Wikidata: Q82133344
• Mol file: 7517-07-9.mol

Synonyms:1-(4-hydroxyphenyl)pyrrolidin-2-one;7517-07-9;2-pyrrolidinone, 1-(4-hydroxyphenyl)-;1-(4-hydroxyphenyl)-2-pyrrolidinone;SCHEMBL1656668;4-hydroxy-phenylpyrrolidin-2-one;DTXSID20354870;MFCD00466561;STK386238;AKOS001107044;1-(4-hydroxy-phenyl)-pyrrolidin-2-one;BS-13761;FT-0752050;EN300-14191;1-(4-hydroxyphenyl)pyrrolidin-2-one, AldrichCPR;Z99599028

Chemical Property of 1-(4-Hydroxyphenyl)pyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 4.49E-09mmHg at 25°C
• Boiling Point: 459.8°C at 760 mmHg
• Flash Point: 231.9°C
• PSA: 40.54000
• Density: 1.275g/cm³
• LogP: 1.58400
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

95-99% ^*data from raw suppliers

1-(4-Hydroxyphenyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)O

Technology Process of 1-(4-Hydroxyphenyl)pyrrolidin-2-one

There total 8 articles about 1-(4-Hydroxyphenyl)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: 93.0%

1-(4-(benzyloxy)phenyl)pyrrolidin-2-one (439148-58-0) → 1-(4-hydroxyphenyl)pyrrolidin-2-one (7517-07-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/ejoc.200500677

Reference yield: 84.0%

2-pyrrolidinon (616-45-5) + (p-hydroxyphenyl)boronic acid (71597-85-8) → 1-(4-hydroxyphenyl)pyrrolidin-2-one (7517-07-9)

Guidance literature:

2-pyrrolidinon; (p-hydroxyphenyl)boronic acid; With copper(l) iodide; In dimethyl sulfoxide; at 20 ℃; for 0.166667h;

With tert.-butylhydroperoxide; In water; dimethyl sulfoxide; at 60 ℃; for 1h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1055/s-0034-1380741

Reference yield: 26.0%

2-pyrrolidinon (616-45-5) + p-Iodophenol (540-38-5) → 1-(4-hydroxyphenyl)pyrrolidin-2-one (7517-07-9)

Guidance literature:

With potassium phosphate; copper(l) iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 110 ℃; for 48h; Solvent; Temperature; Inert atmosphere;

DOI:10.1055/s-0036-1590798

upstream raw materials:

4-butanolide

4-amino-phenol

1-(4-(benzyloxy)phenyl)pyrrolidin-2-one

p-Iodophenol

Downstream raw materials:

(R/S)-3-(5-benzyloxy-3-chloro-2-methoxyphenyl)-5-(3-(4-(2-oxopyrrolidin-1-yl)phenyloxy)propyl)-Δ²-isoxazoline

1-(4-acetoxy-phenyl)-pyrrolidin-2-one

N-(4-methoxyphenyl)-2-pyrrolidinone

Refernces

• 1、 Bathini, Thulasiram,Rawat, Vikas Singh,Sreedhar, Bojja. "Selective copper-catalyzed N-arylation of lactams with arylboronic acids under base- and ligand-free conditions". supporting information. p. 1348 - 1351. Retrieved 2015/06/16.
• 2、 -. "CHEMICAL COMPOUNDS". Page/Page column 62. . Retrieved 2010/11/08.