4-Phenylethynylphthalic Anhydride

Base Information

• Chemical Name: 4-Phenylethynylphthalic Anhydride
• CAS No.: 119389-05-8
• Molecular Formula: C16H8O3
• Molecular Weight: 248.238
• Hs Code.: 29173990
• DSSTox Substance ID: DTXSID6074386
• Nikkaji Number: J680.707K
• Wikidata: Q72501867
• Mol file: 119389-05-8.mol

Synonyms:119389-05-8;4-Phenylethynylphthalic Anhydride;5-(Phenylethynyl)isobenzofuran-1,3-dione;4-(Phenylethynyl)phthalic anhydride;1,3-Isobenzofurandione, 5-(phenylethynyl)-;5-(2-phenylethynyl)-2-benzofuran-1,3-dione;5-(2-phenylethynyl)isobenzofuran-1,3-dione;1,3-Isobenzofurandione, 5-(2-phenylethynyl)-;4-Pheneylethynylphthalic anhydride;4-phenylethynyl phthalic anhydride;4-Phenylethynylphthalic anhydride (PEPA);5-(2-Phenylethynyl)-1,3-isobenzofurandione;5-(2-phenylethynyl)-1,3-dihydro-2-benzofuran-1,3-dione;C16H8O3;4-Phenylethynyl phthalic anhydride (4-PEPA);SCHEMBL72823;4-phenylethynylphthalicanhydride;DTXSID6074386;AMY8792;UPGRRPUXXWPEMV-UHFFFAOYSA-N;MFCD10574892;AKOS015840573;AS-20102;CS-0156579;FT-0653527;P1437;A804273;J-515946;1,3-Isobenzofurandione, 5-(2-phenylethynyl)-4-PEPA

Chemical Property of 4-Phenylethynylphthalic Anhydride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 152 °C
• Refractive Index: 1.679
• Boiling Point: 466.881 °C at 760 mmHg
• Flash Point: 235.424 °C
• PSA: 43.37000
• Density: 1.38 g/cm³
• LogP: 2.39700
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.047344113
• Heavy Atom Count: 19
• Complexity: 447

Purity/Quality:

99% ^*data from raw suppliers

4-Phenylethynylphthalic Anhydride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)OC3=O
• Uses: 4-Phenylethynylphthalic Anhydride is a useful research chemical.

Technology Process of 4-Phenylethynylphthalic Anhydride

There total 5 articles about 4-Phenylethynylphthalic Anhydride 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%

iodobenzene (591-50-4) + 5-ethynylisobenzofuran-1,3-dione (73819-76-8) → 4-(2-phenylethynyl)phthalic anhydride (119389-05-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 5h; Time; Kinetics;

DOI:10.1039/c4nj02117g

Reference yield: 95.0%

bromobenzene (108-86-1,52753-63-6) + 5-ethynylisobenzofuran-1,3-dione (73819-76-8) → 4-(2-phenylethynyl)phthalic anhydride (119389-05-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 5h;

DOI:10.1039/c4nj02117g

Reference yield: 94.0%

4-phenyl ethynyl dimethyl phthalate (865354-04-7) → 4-(2-phenylethynyl)phthalic anhydride (119389-05-8)

Guidance literature:

4-phenyl ethynyl dimethyl phthalate; With methanol; sodium hydroxide; water; at 60 ℃; for 3h;

With hydrogenchloride; In methanol; diethyl ether; water; at 20 ℃; for 0.5h;

With acetic anhydride; for 4h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

4-bromophthalic anhydride

phenylacetylene

4-phenyl ethynyl dimethyl phthalate

iodobenzene

Refernces

• 1、 -. "Aryl ethynyl phthalic acid derivative and method for producing the same". Page/Page column 12. . Retrieved 2010/02/14.