3-[(4-Fluorophenyl)methylene]phthalide

Base Information

• Chemical Name: 3-[(4-Fluorophenyl)methylene]phthalide
• CAS No.: 2558-18-1
• Molecular Formula: C15H9 F O2
• Molecular Weight: 240.234
• Hs Code.: 2932209090
• European Community (EC) Number: 219-877-8
• Nikkaji Number: J192.058H,J830.573K
• Mol file: 2558-18-1.mol

Synonyms:4-Fluorobenzylidenephthalide;2558-18-1;3-[(4-fluorophenyl)methylene]phthalide;(Z)-3-(4-Fluorobenzylidene)isobenzofuran-1(3H)-one;105279-30-9;3-((4-Fluorophenyl)methylene)phthalide;3-[(4-Fluorophenyl)methylene]-2-benzofuran-1(3H)-one;3-(4-Fluorobenzylidene)isobenzofuran-1(3H)-one;SCHEMBL9764640;YUUDPCAZITYZNH-ZROIWOOFSA-N;Cl-2021;MFCD00042557;AKOS024283308;AB00083312-01;3-(4-fluorobenzylidene)-2-benzofuran-1(3h)-one;3-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one

Chemical Property of 3-[(4-Fluorophenyl)methylene]phthalide

Chemical Property:

• Vapor Pressure: 9.72E-06mmHg at 25°C
• Melting Point: 140-142°C
• Boiling Point: 372.3°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 26.30000
• Density: 1.349g/cm³
• LogP: 3.49420
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.05865769
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Fluorobenzylidene)isobenzofuran-1(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)F)OC2=O
• Isomeric SMILES: C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)F)/OC2=O

Technology Process of 3-[(4-Fluorophenyl)methylene]phthalide

There total 2 articles about 3-[(4-Fluorophenyl)methylene]phthalide 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:

phthalic anhydride (85-44-9) + p-Fluorophenylacetic acid (405-50-5) → 3-(4-fluoro-benzylidene)-3H-isobenzofuran-1-one (2558-18-1)

Guidance literature:

Reference yield:

→ 3-(4-fluoro-benzylidene)-3H-isobenzofuran-1-one (2558-18-1)

Guidance literature:

Phthalanhydrid, Erhitzen mit <4-Fluor-phenyl>-essigsaeure, in Ggw. v. K-Acetat, 220grad;

Reference yield:

3-(4-fluoro-benzylidene)-3H-isobenzofuran-1-one (2558-18-1) → fluindione (957-56-2)

Guidance literature:

With sodium methylate;

upstream raw materials:

phthalic anhydride

p-Fluorophenylacetic acid

Downstream raw materials:

fluindione

4-(4-fluorobenzyl)-1(2H)-phthalazinone

dimethyl 2-[4-(4-fluorobenzyl-1-oxo-2(1H)-phthalazinyl)]-3-(1,1,1-triphenyl-λ⁵-phosphanylidene)succinate

diethyl 2-[4-fluorobenzyl-1-oxo-2(1H)-phthalazinyl]-3-(1,1,1-triphenyl-λ⁵-phosphanylidene)succinate