3-Phenyloxolan-2-one

Base Information

• Chemical Name: 3-Phenyloxolan-2-one
• CAS No.: 6836-98-2
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• Hs Code.: 2932209090
• European Community (EC) Number: 848-101-6
• DSSTox Substance ID: DTXSID00987908
• Nikkaji Number: J49.594H
• ChEMBL ID: CHEMBL1398
• Mol file: 6836-98-2.mol

Synonyms:3-phenyloxolan-2-one;6836-98-2;alpha-Phenyl-gamma-butyrolactone;2-phenylbutyrolactone;BRN 0130707;3-PHENYL-DIHYDRO-FURAN-2-ONE;CHEMBL1398;4,5-Dihydro-3-phenyl-2(3H)-furanone;2(3H)-FURANONE, 4,5-DIHYDRO-3-PHENYL-;MFCD01725878;2-FURANONE,4,5-DIHYDRO-3-PHENYL-;5-17-10-00027 (Beilstein Handbook Reference);2(3H)-Furanone, dihydro-3-phenyl-;Phenylbutyrolacton;2-phenylbutyro-lactone;3-Phenyloxolane-2-one;2-phenyl-gamma-butyrolactone;SCHEMBL576473;DTXSID00987908;CHEBI:189992;BDBM50180937;AKOS005216507;AKOS017344755;LS-70462;D78713;EN300-192110;Z1198158252

Chemical Property of 3-Phenyloxolan-2-one

Chemical Property:

• Vapor Pressure: 0.000196mmHg at 25°C
• Boiling Point: 327.9°C at 760 mmHg
• Flash Point: 135.5°C
• PSA: 26.30000
• Density: 1.154g/cm³
• LogP: 1.71710
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

NLT 98% ^*data from raw suppliers

dihydro-3-phenylfuran-2(3H)-one 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=O)C1C2=CC=CC=C2

Technology Process of 3-Phenyloxolan-2-one

There total 63 articles about 3-Phenyloxolan-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: 100.0%

carbethoxy-2 phenyl-2 γ-butyrolactone (19313-67-8) → 3-phenyldihydrofuran-2-one (6836-98-2)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 2h;

Reference yield: 100.0%

α-phenyl-γ-butyrolactonecarboxylic acid (19340-59-1) → 3-phenyldihydrofuran-2-one (6836-98-2)

Guidance literature:

at 60 ℃;

DOI:10.1016/0223-5234(90)90165-Y

Reference yield: 99.0%

C11H13O5S(1-)*Li(1+) → 3-phenyldihydrofuran-2-one (6836-98-2)

Guidance literature:

With sulfuric acid; In toluene; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03088

upstream raw materials:

oxirane

sodium diethyl-2-phenylmalonate

4-diethylamino-2-phenyl-butyric acid

phenylacetonitrile

Downstream raw materials:

4-bromo-2-phenyl-butyric acid methyl ester

4-Hydroxy-2-phenyl-buttersaeure-phenylhydrazid

4-Hydroxy-2-phenyl-buttersaeure-benzylamid

(+/-)-2-phenyl-1,4-butanediol