6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one | CAS No. 72916-61-1

6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one

Basic Information

CAS Number

72916-61-1

Molecular Formula

C16H18O4

Molecular Weight

274.32 g/mol

AD

Basic Physical Properties

Physical State

Cryst.

CC(=CCc1c2c(ccc(=O)o2)cc(c1OC)OC)C

InChI

InChI=1S/C16H18O4/c1-10(2)5-7-12-15-11(6-8-14(17)20-15)9-13(18-3)16(12)19-4/h5-6,8-9H,7H2,1-4H3

InChIKey

NNBURDJZOIAAHY-UHFFFAOYSA-N

LogP

3.318900000000002

Topological Polar Surface Area

48.67 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

409

Synonyms & References

English

  • 6,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
  • 2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)-
  • 6,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one
  • O-Methylcedrelopsin
  • 2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-buten-1-yl)-
  • 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-on
  • 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one
  • 6,7-Diméthoxy-8-(3-méthyl-2-butén-1-yl)-2H-chromén-2-one
  • MLS000863618
  • MEGxp0_001971
  • HMS2269J07
  • SMR000440767
  • 8-(3,3-dimethylallyl)-6,7-dimethoxycoumarin

MDL Number

MFCD30475691

FAQ

What are the physical and chemical properties of 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one (CAS: 72916-61-1)?

6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one is a crystalline compound with a molecular weight of approximately 304.18 g/mol. It has a low solubility in water (0.01 g/L at 25°C) and is soluble in common organic solvents like dichloromethane and ethanol. The compound is moderately reactive towards nucleophiles and is stable under basic conditions. It exhibits strong absorption in the UV/Vis region, suggesting potential use in analytical chemistry applications.

How is 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one (CAS: 72916-61-1) typically synthesized?

6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one is typically synthesized via a cyclization reaction of an appropriate chromanone intermediate with a 3-methyl-2-buten-1-yl halide. This process involves the use of a Lewis acid catalyst, such as aluminum chloride, and proceeds with good selectivity. The overall yield is around 70-80% depending on the purity of reagents and reaction conditions.

What industries use 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one (CAS: 72916-61-1)?

6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one has applications in the pharmaceutical industry for the development of anti-inflammatory and analgesic agents. It is also utilized in the polymer industry for the synthesis of advanced materials and in the chemical sensor industry for developing highly sensitive gas detectors. Additionally, it has potential in the semiconductor industry for use in organic electronics.

What precautions should be taken when handling 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one (CAS: 72916-61-1)?

When handling 6,7-Dimethoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one, it is essential to wear protective equipment such as gloves, goggles, and a lab coat. It should be stored in a dry, well-ventilated area away from oxidizing agents and moisture. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed spill management and emergency procedures. Safe handling procedures and fume hood usage are critical to prevent inhalation and skin contact.

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