ChemicalBook--->CAS DataBase List--->1196-79-8

1196-79-8

1196-79-8 Structure

1196-79-8 Structure
IdentificationMore
[Name]

2,5-Dimethylindole
[CAS]

1196-79-8
[Synonyms]

2,5-DIMETHYL-1H-INDOLE
2,5-DIMETHYLINDOLE
1H-Indole, 2,5-dimethyl-
[EINECS(EC#)]

214-816-1
[Molecular Formula]

C10H11N
[MDL Number]

MFCD00005621
[Molecular Weight]

145.2
[MOL File]

1196-79-8.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white to pale pink or light brown solid
[Melting point ]

112-113 °C (lit.)
[Boiling point ]

254.33°C (rough estimate)
[density ]

1.0353 (rough estimate)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

Solid
[pka]

17.75±0.30(Predicted)
[color ]

Off-white to pale pink or light brown
[InChI]

1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3
[InChIKey]

ZFLFWZRPMDXJCW-UHFFFAOYSA-N
[SMILES]

Cc1ccc2[nH]c(C)cc2c1
[CAS DataBase Reference]

1196-79-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-indole, 2,5-dimethyl-(1196-79-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,5-Dimethylindole(1196-79-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-white to pale pink or light brown solid
[Uses]

  • Reactant in stereoselective preparation of substituted indoles via rhodium-catalyzed enantioselective coupling reaction of indoles with diazo compounds
  • Reactant in stereoselective synthesis of indolines via palladium-catalyzed asymmetric hydrogenation of unprotected indoles
  • Reactant in enantioselective synthesis of fluorene derivatives via Friedel-Crafts reactions
  • Reactant in preparation of bis-indolyldihydroxybenzoquinones by addition indoles to dichlorobenzoquinone promoted by Bronsted acid
  • Reactant in reaction with hydroxypyrazolines
Questions And AnswerBack Directory
[Description]

2, 5-Dimethylindole is a kind of carbazole-system derived indole compound, which is valuable in the manufacturing of perfume. It is also a useful chemical intermediate. It is usually used as reactant in the following reaction: stereoselective synthesis of indolines via palladium-catalyzed asymmetric hydrogenation of unprotected indoles; stereoselective preparation of substituted indoles via rhodium-catalyzed enantioselective coupling reaction of indoles with diazo compounds; enantioselective synthesis of fluorene derivatives via Friedel-Crafts reactions; preparation of bis-indolyldihydroxybenzoquinones by addition indoles to dichlorobenzoquinone promoted by Bronsted acid; Reaction with hydroxypyrazolines.
[Sources]

https://www.sigmaaldrich.com/catalog/product/aldrich/d166006?lang=en&region=US
https://books.google.com/books?isbn=0470188073
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethylindole(1196-79-8)MS
2,5-Dimethylindole(1196-79-8)1HNMR
2,5-Dimethylindole(1196-79-8)13CNMR
2,5-Dimethylindole(1196-79-8)IR1
2,5-Dimethylindole(1196-79-8)IR2
2,5-Dimethylindole(1196-79-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylindole, 98%(1196-79-8)
[Sigma Aldrich]

1196-79-8(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylindole,>97.0%(GC)(1196-79-8)
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