4-(Phenylethynyl)phthalic anhydride

Product Information

Molecular Formula:
C16H8O3
Molecular Weight:
248.23
Description
4-(Phenylethynyl)phthalic anhydride is a key intermediate in the synthesis of drugs for inflammation, cancer and neurodegenerative diseases.
Synonyms
4-Phenylacetylene phthalic anhydride; 4-(2-Phenylethynyl)phthalic anhydride; Phenyl ethynyl phthalic anhydride
IUPAC Name
5-(2-phenylethynyl)-2-benzofuran-1,3-dione
Canonical SMILES
C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)OC3=O
InChI
InChI=1S/C16H8O3/c17-15-13-9-8-12(10-14(13)16(18)19-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChI Key
UPGRRPUXXWPEMV-UHFFFAOYSA-N
Boiling Point
466.9ºCat760mmHg
Melting Point
152ºC
Purity
97.0%(GC)
Density
1.38g/cm3

Safety Information

Hazards
H315 H319 H335
Precautionary Statement
P280 P305+P351+P338

Computed Properties

XLogP3
3.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
248.047344113 g/mol
Monoisotopic Mass
248.047344113 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
447
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114044903-A Hard polyimide foam and preparation method and application thereof 2021-12-29
CN-114033959-A Steady solid super-lubrication method for bearing device 2021-11-15
CN-114106324-A Polyamide acid solution and preparation method and application thereof 2021-10-25
CN-113717360-A High-heat-resistance LCP material easy to mold and process and preparation method thereof 2021-09-08
CN-113493566-A End-capping reagent for preparing polyimide material, polyimide material and preparation method thereof 2021-08-03
CN-113788979-A Hard closed-cell polyimide foam and preparation method thereof 2021-06-29
CN-113416311-A Phenylethynyl-containing cage type polysilsesquioxane and synthetic method and application thereof 2021-06-23
CN-113336942-A Application of 3D printing in cross-linked polyimide, preparation of porous polyimide and preparation of polyimide composite material 2021-06-18
CN-113308218-A Cross-linkable polyimide fiber film-shaped adhesive and preparation method and application thereof 2021-06-01
CN-113278185-A Method for preparing polyimide composite material with hydrophobic surface 2021-05-28

Literatures

PMID Publication Date Title Journal
21581051 2008-10-25 5-(2-Phenyl-ethyn-yl)isobenzofuran-1,3-dione Acta crystallographica. Section E, Structure reports online
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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