9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one | CAS No. 676596-65-9

9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one

Basic Information

CAS Number

676596-65-9

Molecular Formula

C15H10BrN3O

Molecular Weight

328.17 g/mol

AD

Basic Physical Properties

Melting Point

>290°C (dec.)

Solubility

DMSO: >10mg/mL

C1C2=C(C3=C(C=CC=N3)NC1=O)NC4=C2C=C(C=C4)Br

InChI

InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)

InChIKey

NTSBZVCEIVPKBJ-UHFFFAOYSA-N

LogP

3.487000000000001

Topological Polar Surface Area

57.78 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

405

Synonyms & References

English

  • SCHEMBL378920
  • HMS3229B07
  • azakenpaullone
  • CHEBI:131490
  • BDBM7497
  • 676596-65-9
  • 14-bromo-3,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
  • CHEMBL336961
  • 1-Azakenpaullone - CAS 676596-65-9
  • 1-Azakenpaullone, >=97% (HPLC)
  • SB19270
  • GTPL8018
  • SW220021-1
  • Q27070802
  • 9-bromo-7,12-dihydro-pyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one
  • BCP21061
  • AKOS030240424
  • 1-AKP
  • 9-bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one
  • s7193
  • HMS3653A17
  • NCGC00386322-01
  • AS-77872
  • D95573
  • DTXSID8042686
  • FT-0662368
  • HY-59090
  • 14-bromo-3,8,18-triazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
  • HMS3886N11
  • CCG-267787
  • 1-Azakenpaullone

MDL Number

MFCD09037522

FAQ

What are the physical and chemical properties of 9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one (CAS: 676596-65-9)?

9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one is a crystalline solid with a molecular weight of approximately 309.03 g/mol. It has limited water solubility but is soluble in organic solvents like DMSO and DMF. The compound exhibits moderate reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations. It is also known for its stability under neutral and slightly acidic conditions.

How is 9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one (CAS: 676596-65-9) typically synthesized?

9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one is commonly synthesized via a multistep process involving reactions such as nucleophilic substitution and condensation. The synthesis typically involves the bromination of a precursor indolone followed by cyclization. Common catalysts include Lewis acids like aluminum trichloride or triphenylphosphine. The overall yield is moderate, around 60-70%, depending on the reaction conditions.

What industries use 9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one (CAS: 676596-65-9)?

9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one is primarily used in the pharmaceutical industry for the development of new drug candidates. It also finds applications in the synthesis of organic materials and as a reagent in academic research. Given its unique chemical structure, it may also be used in the production of certain polymers and as a functional group in sensor technology.

What precautions should be taken when handling 9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one (CAS: 676596-65-9)?

When handling 9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Proper disposal guidelines and safety data sheets (SDS) should be consulted. Spills should be handled carefully, and the area should be cleaned using appropriate solvent solutions. Always follow local safety regulations and guidelines.

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