5-Benzyloxolan-2-one

Base Information

• Chemical Name: 5-Benzyloxolan-2-one
• CAS No.: 21175-42-8
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID80532354
• Nikkaji Number: J777.418D
• Wikidata: Q82404890
• Mol file: 21175-42-8.mol

Synonyms:5-benzyloxolan-2-one;21175-42-8;5-benzyl-dihydro-furan-2-one;SCHEMBL6496581;DTXSID80532354;CHEBI:189776;AKOS033329392;CS-0231560;EN300-108845;Z1342098372

Chemical Property of 5-Benzyloxolan-2-one

Chemical Property:

• PSA: 26.30000
• LogP: 1.93470
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

5-benzyloxolan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)OC1CC2=CC=CC=C2

Technology Process of 5-Benzyloxolan-2-one

There total 31 articles about 5-Benzyloxolan-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%

harzialactone A → (±)-5-benzyldihydrofuran-2(3H)-one (21175-42-8)

Guidance literature:

harzialactone A; With sulfuric acid; acetic anhydride; at 0 ℃; for 1h; Inert atmosphere;

With 5%-palladium/activated carbon; at 20 ℃; for 2h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/asia.201600307

Reference yield: 85.0%

1-phenyl-pent-4-yn-2-ol → (±)-5-benzyldihydrofuran-2(3H)-one (21175-42-8)

Guidance literature:

With methanesulfonic acid; C₂₁H₁₂F₉P*C₈H₁₈NO₄S₂^(1-)*Au⁽¹⁺⁾; 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; at 20 ℃; for 5h;

DOI:10.1021/ol302323a DOI:10.1021/ol302323a

Reference yield: 82.0%

allylbenzene (300-57-2,57807-91-7) + acetic anhydride (108-24-7) → (±)-5-benzyldihydrofuran-2(3H)-one (21175-42-8)

Guidance literature:

With manganese(IV) oxide; sodium acetate; lithium bromide; at 120 ℃; for 3h;

DOI:10.1039/c5cc08867d

upstream raw materials:

4-oxo-5-phenylvaleric acid

allylbenzene

5-phenyl-γ-hydroxyvaleric acid

(E)-5-phenylpent-3-enoic acid

Downstream raw materials:

4-hydroxy-N,N-dimethyl-5-phenylpentanamide

1-phenyl-5-(3,4,5-trimethoxyphenethylamino)-2-pentanol

(S)-4-hydroxy-N,N-dimethyl-5-phenylpentanamide

(S)-4-(dimethylcarbamoyl)-1-phenyl-2-butyl acetate