7706-74-3

Basic information

• Product Name: 2,4-Pentanedione, 3-(3-oxo-1(3H)-isobenzofuranylidene)-
• CAS NO: 7706-74-3
• Molecular Formula: C13H10O4
• Molecular Weight: 230.22
• Mol File: 7706-74-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,4-Pentanedione, 3-(3-oxo-1(3H)-isobenzofuranylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Pentanedione, 3-(3-oxo-1(3H)-isobenzofuranylidene)-(7706-74-3)
• EPA Substance Registry System: 2,4-Pentanedione, 3-(3-oxo-1(3H)-isobenzofuranylidene)-(7706-74-3)

Safety Data

• Hazardous Substances Data: 7706-74-3(Hazardous Substances Data)

Upstream product

• 15435-71-9 sodium acetylacetonate 
• 88-95-9 Phthaloyl dichloride 
• 85-44-9 phthalic anhydride 
• 123-54-6 acetylacetone 

Downstream Products

• 550-44-7 N-methylphthalimide 
• 64-19-7 acetic acid 
• 88-99-3 benzene-1,2-dicarboxylic acid 
• 78-98-8 2-oxopropanal 
• 136918-14-4 phthalimide 
• 88-96-0 phthalamide 
• 123-54-6 acetylacetone 
• 866996-83-0 2-(2-acetyl-3-oxo-butyl)-benzoic acid 

Relevant articles and documents

3-(3-Oxo-1,3-dihydro-isobenzofuran-1-yl-idene)pentane-2,4-dione

In the title compound, C13H10O4, prepared by the condensation reaction between phthalic anhydride and pentane-2,4-dione, one of the acetyl groups in the pentane-2,4-dione fragment is almost coplanar with the isobenzofuran ring system, while the other group is twisted out of this plane by almost 80°. The corresponding C - C and C - O distances in the two acetyl units are consistent with dipolar delocalization into the coplanar unit only. There is no supra-molecular aggregation of the mol-ecules, but a number of rather short inter-molecular contacts of C - H...O, O...O and O...C types occur. International Union of Crystallography 2007.