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
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
466.9°Cat760mmHg
Melting Point
152°C
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 |
