3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione | CAS No. 84632-59-7

3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

Basic Information

CAS Number

84632-59-7

Molecular Formula

C26H28N2O2

Molecular Weight

400.52 g/mol

AD

Basic Physical Properties

Density

1.19

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H28N2O2/c1-25(2,3)17-11-7-15(8-12-17)21-19-20(24(30)27-21)22(28-23(19)29)16-9-13-18(14-10-16)26(4,5)6/h7-14H,1-6H3,(H,27,30)(H,28,29)

InChIKey

WKDXGFAVUSYQON-UHFFFAOYSA-N

LogP

4.663600000000003

Topological Polar Surface Area

58.2 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

670

Synonyms & References

English

  • SCHEMBL813593
  • 84632-59-7
  • SCHEMBL23064861
  • Oprea1_229895
  • Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis[4-(1,1-dimethylethyl)phenyl]-2,5-dihydro-
  • DTXSID601020021
  • 3,6-Bis(4-(tert-butyl)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
  • NS00077692
  • Pigment Orange 73
  • C.I. 561170
  • 3,6-Bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
  • Pyrrolo3,4-cpyrrole-1,4-dione, 3,6-bis4-(1,1-dimethylethyl)phenyl-2,5-dihydro-
  • 3,6-bis(4-tert-butylphenyl)-1,2,4,5-tetrahydropyrrolo<3,4-c>pyrrole-1,4-dione
  • 3,6-Bis(4-tert-butylphenyl)-2,5-dihydropyrrolo<3,4-c>pyrrol-1,4-dion
  • 3,6-Bis[4-(1,1-dimethylethyl)phenyl]-2,5-di-hydropyrrolo[3,4-c]pyrrole-1,4-di-one
  • 3,6-di(4-tert-butylphenyl)-pyrrolo[3,4-c]pyrrol-1,4-dione
  • C.I. Pigment Orange 73

FAQ

What are the physical and chemical properties of 3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7)?

3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7) is a crystalline solid with a molecular weight of approximately 544.6 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. This compound shows moderate reactivity with electrophiles and is stable under normal laboratory conditions.

How is 3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7) typically synthesized?

3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione is typically synthesized through a multistep reaction involving the coupling of 2-methyl-2-propanol and 4-(2-methyl-2-propanyl)benzene followed by an intramolecular cyclization. The reaction is catalyzed by a palladium-based catalyst and proceeds with good regioselectivity and high yield.

What industries use 3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7)?

3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7) is primarily used in the pharmaceutical industry for its potential as a precursor to drug candidates. It also finds applications in the synthesis of organic semiconductors and as a component in certain sensor materials.

What precautions should be taken when handling 3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7)?

When handling 3,6-Bis[4-(2-methyl-2-propanyl)phenyl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 84632-59-7), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate materials, and proper disposal methods should be followed. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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