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200052-70-6

200052-70-6 Structure

200052-70-6 Structure
IdentificationMore
[Name]

4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran
[CAS]

200052-70-6
[Synonyms]

4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4h-pyran
DCJTB
4-(Dicyanomethylene)-2-T-Butyl-6-(1,1,7,7-Tetramethyljulolidyl-9-Enyl)-4h-Pyran
Propanedinitrile,2-[2-(1,1-dimethylethyl)-6-[2-(2
Propanedinitrile,[2-(1,1-dimethylethyl)-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,7,7-TETRAMETHYLJULOLIDYL-9-ENYL)-4H-PYRAN (DCJTB)
Propanedinitrile, 2-[2-(1,1-dimethylethyl)-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
[Molecular Formula]

C30H36N3O
[MDL Number]

MFCD08460403
[Molecular Weight]

454.63
[MOL File]

200052-70-6.mol
Chemical PropertiesBack Directory
[Melting point ]

298-303°C (exp.)
[Boiling point ]

561.1±50.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[form ]

powder
[pka]

6.20±0.60(Predicted)
[color ]

Orange to Brown to Dark red
[λmax]

510nm(THF)(lit.)
[Detection Methods]

HPLC
[InChI]

InChI=1S/C30H35N3O/c1-28(2,3)26-17-21(22(18-31)19-32)16-23(34-26)9-8-20-14-24-27-25(15-20)30(6,7)11-13-33(27)12-10-29(24,4)5/h8-9,14-17H,10-13H2,1-7H3
[InChIKey]

HXWWMGJBPGRWRS-UHFFFAOYSA-N
[SMILES]

C(#N)/C(=C1\C=C(C=CC2=CC3=C4C(=C2)C(C)(C)CCN4CCC3(C)C)OC(C(C)(C)C)=C\1)/C#N
[CAS DataBase Reference]

200052-70-6(CAS DataBase Reference)
[Absorption]

λmax?502 nm in THF
[Odor]

Deep red crystals/powder
Hazard InformationBack Directory
[Description]

DCJTB, a dicyanomethylene-4H-pyran (DCM) derivative, is one of the most promising dopant materials. It has been widely used in red and white OLEDs.
[Uses]

Red dopant for white organic light emitting diodes (OLEDs). 1 DCJTB may be used as an emitting layer to enhance the performance of OLEDs.
[General Description]

DCJTB belongs to a class of laser dyes useful for solar-concentrator applications. Pure DCJTB can be prepared from unsymmetrical 4-(dicyanomethylene)-2-(t-butyl)-6-methyl-4H-pyran directly. These red dopants have high photoluminescent (PL) quantum yields. Its photoluminescent properties have been reported in a study.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
[WGK Germany ]

WGK 3
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Sulfuric acid-->Tetrahydrofuran-->N,N-Dimethylformamide-->Petroleum ether-->Phosphorus oxitrichloride-->Sodium carbonate-->Potassium hydroxide-->Acetic anhydride-->Benzene-->Acetonitrile-->Sodium hydride-->Acetyl chloride-->Aniline-->Piperidine-->Acetylacetone-->Malononitrile-->1,2-Dimethoxyethane-->3,3-Dimethylallyl bromide-->Methyl trimethylacetate
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