4-Benzyloxolan-2-one

Base Information

• Chemical Name: 4-Benzyloxolan-2-one
• CAS No.: 22530-98-9
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• European Community (EC) Number: 810-078-5
• Nikkaji Number: J460.855K
• Mol file: 22530-98-9.mol

Synonyms:4-benzyloxolan-2-one;22530-98-9;4-benzyldihydrofuran-2(3H)-one;3-benzylbutyrolactone;4-benzyl-dihydrofuran-2-one;beta-benzyl-gamma-butyrolactone;4-Benzyl-dihydro-furan-2-one;SCHEMBL5236823;YKUMFVKVLCXLOE-UHFFFAOYSA-N;AMY16250;XAA53098;MFCD01529601;AKOS005449279;DS-8740;CS-0156329;I11257

Chemical Property of 4-Benzyloxolan-2-one

Chemical Property:

• Melting Point: 45-46 °C(Solv: ethanol (64-17-5))
• Boiling Point: 155-160 °C(Press: 1 Torr)
• PSA: 26.30000
• Density: 1.122 g/cm3
• LogP: 1.79220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 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

4-Benzyloxolan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COC1=O)CC2=CC=CC=C2

Technology Process of 4-Benzyloxolan-2-one

There total 33 articles about 4-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: 99.0%

5-phenyl-3-oxabicyclo<3.1.0>hexan-2-one (96847-64-2,121851-50-1) → 4-benzyl-dihydro-furan-2-one (22530-98-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;

DOI:10.1039/P19950001437

Reference yield: 97.0%

4-(phenylmethyl)-2(5H)-furanone (16720-76-6) → 4-benzyl-dihydro-furan-2-one (22530-98-9)

Guidance literature:

With hydrogen; 10percent Pd/C; for 48h; under 37503.8 Torr;

DOI:10.1039/b008499i

Reference yield: 93.0%

3-benzyloxetane (10317-12-1) + carbon monoxide (201230-82-2) → 4-benzyl-dihydro-furan-2-one (22530-98-9)

Guidance literature:

With 1,2-dimethoxyethane; dicobalt octacarbonyl; hydrogen; at 100 ℃; for 16h; under 22801.5 Torr;

DOI:10.1002/cctc.202001294

upstream raw materials:

3-(ethoxycarbonyl)-2-benzylidenepropanoic acid

4-(phenylmethyl)-2(5H)-furanone

(E)-cinnamyl bromoacetate

4-benzyl-2-ethoxytetrahydrofuran

Downstream raw materials:

4-benzyl-3-phenylthio-4,5-dihydrofuran-2(3H)-one

β-(bromomethyl)-γ-phenylbutyric acid

Sodium; 3-hydroxymethyl-4-phenyl-butyrate

propyl 3-benzyl-4-hydroxybutanoate