2(5H)-Furanone, 4-benzyl-

Base Information

• Chemical Name: 2(5H)-Furanone, 4-benzyl-
• CAS No.: 16720-76-6
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID00168250
• Nikkaji Number: J69.808C
• Wikidata: Q83037806
• Mol file: 16720-76-6.mol

Synonyms:4-Benzyl-2(5H)-furanone;Benzylbutenolid;2(5H)-FURANONE, 4-BENZYL-;16720-76-6;3-benzyl-2H-furan-5-one;BRN 0134849;4-Benzyl-2,5-dihydrofuran-2-one;5-17-10-00181 (Beilstein Handbook Reference);Benzylbutenolide;SCHEMBL981029;DTXSID00168250;NDSRBOXPULNFLZ-UHFFFAOYSA-N;LS-70313

Chemical Property of 2(5H)-Furanone, 4-benzyl-

Chemical Property:

• Vapor Pressure: 3.34E-05mmHg at 25°C
• Boiling Point: 354.5°Cat760mmHg
• Flash Point: 147.9°C
• PSA: 26.30000
• Density: 1.194g/cm³
• LogP: 1.71230
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC(=O)O1)CC2=CC=CC=C2

Technology Process of 2(5H)-Furanone, 4-benzyl-

There total 24 articles about 2(5H)-Furanone, 4-benzyl- 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: 94.0%

(3S*,4R*)-4-benzyl-3-phenylselanyl-γ-butyrolactone → 4-(phenylmethyl)-2(5H)-furanone (16720-76-6)

Guidance literature:

With sodium periodate; sodium hydrogencarbonate; In methanol; water; at 20 ℃;

DOI:10.1016/S0040-4020(99)00721-8

Reference yield: 86.0%

3-tributylstannyl-4-benzylfuran-2(5H)-one → 4-(phenylmethyl)-2(5H)-furanone (16720-76-6)

Guidance literature:

With trifluoroacetic acid; In methanol; at 20 ℃;

DOI:10.1016/S0040-4020(02)00995-X

Reference yield: 79.0%

acrylic acid 2-benzyl-allyl ester (607375-36-0) → 4-(phenylmethyl)-2(5H)-furanone (16720-76-6)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In 1,2-dichloro-ethane; for 10h; Heating;

DOI:10.1021/ja0351692

upstream raw materials:

4-benzyl-4-hydroxy-dihydro-furan-2-one

C₁₁H₁₁ClHgO₂

5-hydroxy-4-benzylbutenolide

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

Downstream raw materials:

4-benzyl-dihydro-furan-2-one

5-phenyl-3-oxabicyclo<3.1.0>hexan-2-one

Sodium; 3-hydroxymethyl-4-phenyl-butyrate

(S)-(-)-β-benzyl-γ-butyrolactone