1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide | CAS No. 891503-79-0

1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide

Basic Information

CAS Number

891503-79-0

Molecular Formula

C18H20BrN

Molecular Weight

330.3 g/mol

AD

Basic Physical Properties

CC1=[N+](C2=C(C1(C)CC=C)C3=CC=CC=C3C=C2)C.[Br-]

InChI

InChI=1S/C18H20N.BrH/c1-5-12-18(3)13(2)19(4)16-11-10-14-8-6-7-9-15(14)17(16)18;/h5-11H,1,12H2,2-4H3;1H/q+1;/p-1

InChIKey

XQNGBNKGPFPTIL-UHFFFAOYSA-M

LogP

1.83120

Complexity

408

Synonyms & References

English

  • 1,2,3-trimethyl-1-(2-propen-1-yl)-1h-benz[e]indolium bromide
  • 1,2,3-trimethyl-1-prop-2-enylbenzo[e]indol-3-ium;bromide
  • 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indol-3-ium bromide
  • AKOS015901937
  • 891503-79-0
  • 1,2,3-Trimethyl-1-(2-propen-1-yl)-1H-benz[e]indolium bromide
  • 1,2,3-trimethyl-3-prop-3-enylbenz[e]indolenium bromide
  • 1H-Benz[e]indoliuM
  • 1H-Benz[e]indolium,1,2,3-trimethyl-1-(2-propen-1-yl)-,bromide (1:1)
  • 1H-Benz[e]indolium,1,2,3-trimethyl-1-(2-propenyl)-, bromide (9CI)

FAQ

What are the physical and chemical properties of 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0)?

1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0) is a crystalline solid with a molecular weight of approximately 328.07 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound shows moderate reactivity towards nucleophiles and electrophiles. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and heat sources.

How is 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0) typically synthesized?

1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide is typically synthesized through a multi-step process involving the reaction of 1,2,3-trimethyl-1H-benzo[e]indole with allyl bromide in the presence of a base like potassium carbonate. The reaction is carried out in an inert solvent such as dimethylformamide (DMF) under standard conditions. Yield is generally around 70-80%, with good selectivity towards the desired product.

What industries use 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0)?

1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0) is used in the pharmaceutical industry for the synthesis of certain drugs and in the research of new compounds. It also finds application in the semiconductor industry for doping purposes and in the development of organic semiconductors. Additionally, it is utilized in the production of organic electronic materials and sensors.

What precautions should be taken when handling 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0)?

When handling 1-Allyl-1,2,3-trimethyl-1H-benzo[e]indolium bromide (CAS: 891503-79-0), appropriate personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. The compound should be handled in a well-ventilated area or within a fume hood. In case of a spill, immediately clean up the area using appropriate absorbent materials and ensure proper disposal of waste. Refer to the safety data sheet (SDS) for detailed handling and disposal procedures.

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