(+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone

Base Information

• Chemical Name: (+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone
• CAS No.: 136410-26-9
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.253
• DSSTox Substance ID: DTXSID30929412
• Nikkaji Number: J423.546K
• Mol file: 136410-26-9.mol

Synonyms:BRN 1456320;(+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone;2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-;5-21-12-00021 (Beilstein Handbook Reference);136410-26-9;1-benzyl-5-methoxypyrrolidin-2-one;DTXSID30929412;1-Benzyl-5-methoxypyrrolidine-2-one;LS-138881

Chemical Property of (+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 1.57E-05mmHg at 25°C
• Boiling Point: 365.4°Cat760mmHg
• Flash Point: 174.8°C
• PSA: 29.54000
• Density: 1.13g/cm³
• LogP: 1.71940
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CCC(=O)N1CC2=CC=CC=C2

Technology Process of (+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone

There total 6 articles about (+-)-5-Methoxy-1-(phenylmethyl)-2-pyrrolidinone 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: 84.0%

methanol (67-56-1) + 1-(phenylmethyl)-2,5-pyrrolidinedione (2142-06-5) → 1-benzyl-5-methoxypyrrolidin-2-one (41194-03-0,136410-26-9)

Guidance literature:

With tris(2,4-pentanedionato)ruthenium(III); methanesulfonic acid; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; at 130 ℃; for 18h; under 11251.1 Torr; Autoclave;

DOI:10.1002/anie.201508575

Reference yield: 71.0%

5-methoxypyrrolidin-2-one (63853-74-7,38072-88-7) + benzyl bromide (100-39-0) → 1-benzyl-5-methoxypyrrolidin-2-one (41194-03-0,136410-26-9)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/0223-5234(91)90102-S

Reference yield:

methanol (67-56-1) + 1-benzyl-1,5-dihydro-2H-pyrrole-2-one (64330-46-7) → 1-benzyl-5-methoxypyrrolidin-2-one (41194-03-0,136410-26-9)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 4h; Cooling with ice; Green chemistry;

DOI:10.1055/s-0040-1707886

upstream raw materials:

methanol

1-(phenylmethyl)-2,5-pyrrolidinedione

5-methoxypyrrolidin-2-one

benzyl bromide

Downstream raw materials:

1-benzyl-5-methoxy-3-<6-(trimethylsilyl)-4-hexenyl>-2-pyrrolidinone

1-benzyl-5-methoxy-3-<5-(trimethylsilyl)-3-pentynyl>-2-pyrrolidinnone