2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone | CAS No. 78860-34-1

2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone

Basic Information

CAS Number

78860-34-1

Molecular Formula

C32H30N2O4

Molecular Weight

506.6 g/mol

AD

Basic Physical Properties

Boiling Point

780.2°C at 760 mmHg

Density

1.335

Flash Point

425.6°C

Refractive Index

1.72

CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)O)C

InChI

InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3

InChIKey

XMGNJVXBPZAETK-UHFFFAOYSA-N

LogP

7.011700000000006

Topological Polar Surface Area

106.18 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

1090

Synonyms & References

English

  • 2-[2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]-3,6-dihydroxy-5-[7-(3-methyl-2-butenyl)-1h-indol-3-yl]-2,5-cyclohexadiene-1,4-dione
  • 2,5-Dihydroxy-3-(7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl)-6-(2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
  • Tocris-1819
  • CS-0028912
  • HMS3268I16
  • L783281
  • Demethylasterriquinone B 1; Dimethylasterriquinone
  • CHEBI:197994
  • NCGC00025307-01
  • DAQ B1
  • 2-[2-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]-1,4-benzoquinone
  • XMGNJVXBPZAETK-UHFFFAOYSA-N
  • NCGC00025307-02
  • 2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-butenyl)-1H-indol-3-yl)-
  • SR-01000597541-1
  • AKOS024456800
  • 78860-34-1
  • L 783281
  • F6582H6JQW
  • DMAQ-B1
  • UNII-F6582H6JQW
  • 2,5-Cyclohexadiene-1,4-dione, 2-[2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-5-[7-(3-methyl-2-butenyl)-1H-indol-3-yl]-
  • Demethylasterriquinone B1
  • 2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)-
  • 2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  • HY-107586
  • L-783281
  • Dimethylasterriquinone
  • L-783,281
  • SR-01000597541
  • SCHEMBL304445

MDL Number

MFCD06410990

FAQ

What are the physical and chemical properties of 2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone (CAS: 78860-34-1)?

2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone is a crystalline solid with a molecular weight of approximately 868.02 g/mol. It has low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is known for its high reactivity, especially in redox reactions. It exhibits strong absorption in the UV-Vis spectrum, which can be used for spectroscopic analysis.

How is 2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone (CAS: 78860-34-1) typically synthesized?

2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone is typically synthesized through a multistep process involving the condensation of two indolyl derivatives with benzoquinone. The synthesis involves the use of a palladium catalyst and requires careful control of reaction conditions to achieve high yield and selectivity. The process is complex and requires specialized laboratory equipment.

What industries use 2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone (CAS: 78860-34-1)?

2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone is used in the pharmaceutical industry for its antioxidant and anti-inflammatory properties. It is also explored for use in sensor technology due to its unique spectroscopic properties and potential in semiconductor applications. However, its use in these areas is still under investigation and not yet widely commercialized.

What precautions should be taken when handling 2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone (CAS: 78860-34-1)?

When handling 2,5-Dihydroxy-3-[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]-6-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-1,4-benzoquinone (CAS: 78860-34-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up promptly using appropriate absorbent materials and disposing of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.

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