3-Benzoylphthalide

Base Information

• Chemical Name: 3-Benzoylphthalide
• CAS No.: 18398-22-6
• Molecular Formula: C₁₅H₁₀O₃
• Molecular Weight: 238.243
• Hs Code.: 2932209090
• European Community (EC) Number: 665-830-3
• Nikkaji Number: J82.741J
• Mol file: 18398-22-6.mol

Synonyms:3-Benzoylphthalide;18398-22-6;3-benzoyl-3H-2-benzofuran-1-one;3-Benzoylisobenzofuran-1(3H)-one;3-benzoyl-2-benzofuran-1(3H)-one;AKOS024324051

Chemical Property of 3-Benzoylphthalide

Chemical Property:

• PSA: 43.37000
• LogP: 2.78100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.062994177
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2C3=CC=CC=C3C(=O)O2

Technology Process of 3-Benzoylphthalide

There total 9 articles about 3-Benzoylphthalide 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:

(3RS,8SR)-3,8-epoxy-3-phenylmethylisobenzofuran-1(3H)-one → 3-benzoylisobenzofuran-1(3H)-one (18398-22-6)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.0333333h;

Reference yield:

(Z)-3-benzylidenephthalide (4767-56-0) → 3-benzoylisobenzofuran-1(3H)-one (18398-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 195 mg / m-chloroperoxybenzoic acid / CH₂Cl₂ / 72 h / 20 °C

2: aq. sodium hydroxide / 0.03 h / 20 °C

With sodium hydroxide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

Reference yield:

2-hydroxy-2-phenyl-2H-indene-1,3-dione (3761-46-4) → 3-benzoylisobenzofuran-1(3H)-one (18398-22-6)

Guidance literature:

With potassium hydroxide; unter Stickstoff;

upstream raw materials:

1-methyl-4-nitrosobenzene

2-hydroxy-2-phenyl-2H-indene-1,3-dione

(α,α'-dioxo-bibenzyl-2-yl)-glyoxylic acid

erythro (3RS,8SR)-3-isobenzofuran-1(3H)-one