89331-94-2

Basic information

• Product Name: 2-Anilino-6-dibutylamino-3-methylfluoran
• Synonyms: CK-68;3-DI-N-BUTYLAMINO-6-METHYL-7-PHENYLAMINOFLUORAN;6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one;2-PHENYLAMINO-3-METHYL-6-DI-N-BUTYLAMINOFLUORAN;2-anilino-6-dibutylamino-3-methylfluoran;2-ANILINO-6-DIBUTYLAMINO-3-METHYLFLUORANE;ODB-2;ODB-TWO
• CAS NO: 89331-94-2
• Molecular Formula: C₃₅H₃₆N₂O₃
• Molecular Weight: 532.68
• EINECS: 403-830-5
• Product Categories: Industrial/Fine Chemicals;API intermediates
• Mol File: 89331-94-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 179-184°C
• Boiling Point: 704.461 °C at 760 mmHg
• Flash Point: 379.845 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 1.08E-19mmHg at 25°C
• Refractive Index: 1.661
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: 139.2 in mg/100g standard fat at 20 ℃
• PKA: 4.53±0.20(Predicted)
• Water Solubility: 1.61-21μg/L at 20℃
• CAS DataBase Reference: 2-Anilino-6-dibutylamino-3-methylfluoran(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Anilino-6-dibutylamino-3-methylfluoran(89331-94-2)
• EPA Substance Registry System: 2-Anilino-6-dibutylamino-3-methylfluoran(89331-94-2)

Safety Data

• Statements: 52/53
• Safety Statements: 61
• Hazardous Substances Data: 89331-94-2(Hazardous Substances Data)

Usage

Physical Form

Solid

Uses

2-Anilino-6-dibutylamino-3-methylfluoran is a useful research chemical compound.

InChI:InChI=1/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3

Upstream product

• 67676-48-6 N,N,N',N'-tetra-n-butyl-m-phenylenediamine 
• 41317-15-1 4-phenylamino-3-methyl-1-methoxybenzene 
• 54574-82-2 2-(4'-di-n-butylamino-2'-hydroxybenzoyl)benzoic acid 

Downstream Products

• 1254831-52-1 C₄₄H₄₆N₄O₃ 

Relevant articles and documents

A highly selective and sensitive colorimetric chemosensor for Fe2+ based on fluoran dye

A highly selective chemosensor based on fluoran dye for Fe2+, 2′-anilino-3′-methyl-6′-dibuthylamino-N-((2′-(2″-ethylimino) methyl) naphthalen-2-ol) iso-indolin-1-one-fluoran (5), was designed and synthesized. The chemical structures of all the intermediates and the fluoran dye 5 are characterized by 1H NMR, 13C NMR, Ms and elemental analysis. Upon addition of Fe2+, the fluoran dye 5 shows a new peak around 658 nm in its absorption spectra, and the color of solution changed from colorless to greenish black. Whereas other ions including Mg2+, Pb2+, Ni2+, Hg2+, Cd2+, Fe3+, Cu2+, Zn2+ and Al3+ and so on induced basically no spectral change, which constituted a Fe2+ highly sensitive and selective colorimetric chemosensor by naked eyes .

Kass-controlled Hg2+ transport from Crystal Violet Lactone to Fluoran

We have investigated the Hg2+ transport from Crystal Violet Lactone to Fluoran dye based on the association constant, Kass. Upon addition of Hg2+, the Crystal Violet Lactone shows a new peak at around 603 nm, and the color of the solution changed from colorless to blue. With the addition of Fluoran dye in this solution containing Crystal Violet Lactone and Hg2+, the absorption intensity of Fluoran dye at 447 nm and 586 nm was all increased. So the color of solution gradually became black from blue color. From the changes of the ratio A586/A447, it is apparent that the Hg2+ in Crystal Violet Lactone-Hg 2+ was transported to colored Fluoran. The Hg2+ transport from Crystal Violet Lactone to Fluoran dye was also carried out by the calculation of the association constant: the binding ability for the complex formation of Fluoran dye and Crystal Violet Lactone-Hg2+ is much greater in CH3CN solution (Kass = 3.0 × 10 4 M-1) than that of the Crystal Violet Lactone with Hg2+ (Kass = 1.2 × 103 M-1).

Method for preparing black fluorane thermal-pressure sensitive dye by virtue of one-step method

The invention discloses a method for preparing a black fluorane thermal-pressure sensitive dye by virtue of a one-step method. The method comprises the following steps: (1) acid-catalysis cyclic condensation: adding a diphenyl ketone derivative and 2-methyl-4-methoxydiphenylamine into an organic solvent I with a relatively low boiling point, adding a sulfuric acid solution while stirring, and heating to a reflux temperature to react for 1.5-4.5 hours; and (2) post-processing refining: adding water into reaction liquid obtained in the step (1), recycling the organic solvent I with the relatively low boiling point by virtue of heat release, then adding a nonpolar solvent II into the recycled reaction liquid, carrying out heating reflux to separate a water phase so as to obtain an organic phase, carrying out cooling, crystallization, filtering and solvent washing on the organic phase, and drying, so as to obtain the black fluorane thermal-pressure sensitive dye.