DCJTB - ≥98%(HPLC) , CAS No.200052-70-6

CAS: 200052-70-6 Cat. No.: D154842 Molecular Weight: 453.63 EC Number: 808-085-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

DCJTB | BS-49411 | 2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile | 4-(Dicyanomethylene)-2-tert-butyl-6-[1,1,7,7-tetramethyljulolidin-4-yl-vinyl]-4H-pyran | A

Storage

Room temperature

Shipped In

Normal

Overview

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

Specifications

Synonyms

DCJTB | BS-49411 | 2-[2-tert-butyl-6-[(E)-2-(4, 4, 10, 10-tetramethyl-1-azatricyclo[7.3.1.05, 13]trideca-5, 7, 9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile | 4-(Dicyanomethylene)-2-tert-butyl-6-[1, 1, 7, 7-tetramethyljulolidin-4-yl-vinyl]-4H-pyran | A

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769070
• Canonical Smiles: CC1(CCN2CCC(C3=C2C1=CC(=C3)C=CC4=CC(=C(C#N)C#N)C=C(O4)C(C)(C)C)(C)C)C
• IUPAC Name: 2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
• InChIKey: HXWWMGJBPGRWRS-CMDGGOBGSA-N
• 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/b9-8+
• Isomeric SMILES: CC1(CCN2CCC(C3=C2C1=CC(=C3)/C=C/C4=CC(=C(C#N)C#N)C=C(O4)C(C)(C)C)(C)C)C
• Molecular Weight: 453.63
• Reaxy-Rn: 17612883
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17612883&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Styrenes Dialkylarylamines Aralkylamines Pyrans Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Pyran - Benzenoid - Tertiary amine - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Boil Point(°C): 561.1±50.0 °C at 760 mmHg
• Melt Point(°C): 298-303°C
• Molecular Weight: 453.600 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 453.278 Da
• Monoisotopic Mass: 453.278 Da
• Topological Polar Surface Area: 60.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Shuya Ning, Chi Zhang, Naming Zhang, Jin Huang, Kunping Guo, Tao Lei, Fanghui Zhang.  (2026)  Enhanced energy transfer efficiency between CsPbBr3 nanocrystals and organic dye DCJTB based on Ag@SiO2 core-shell nanoparticles.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2026.121887]