2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one Chemical Properties

Melting point:

166-168℃

Boiling point:

692.2±55.0 °C(Predicted)

Density 

1.25±0.1 g/cm3(Predicted)

vapor pressure 

0Pa at 25℃

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

5.24±0.20(Predicted)

Appearance

White to off-white Solid

Water Solubility 

100μg/L

InChIKey

HUSIBQLZEMMTCQ-UHFFFAOYSA-N

SMILES

C12(C3=C(C=C(N(CC)CCC(C)C)C=C3)OC3=C1C=C(NC1=CC=CC=C1)C(C)=C3)C1=C(C=CC=C1)C(=O)O2

LogP

4.2 at 20℃

EPA Substance Registry System

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)- (70516-41-5)

2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one Usage And Synthesis

Chemical Properties

6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is an excellent coupler. The fluoran compound has two different crystal forms, one High melting point crystal, its melting point is in the range of 164-168℃; a low melting point crystal, its melting point is in the range of 145-156℃. Among these two different crystal forms, as a coupler in thermal or pressure-sensitive recording materials, the high-melting-point crystalline compound has the advantages of fast color development and not easy to fade.

Application

6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is a kind of black fluoran thermopressure-sensitive dye, which is based on xanthene type. compound of the parent structure. It is usually a colorless or light-colored crystal, and when it comes into contact with a color developer (acid clay, bisphenol A, POB, etc.), it develops color with the cracking of the lactone ring in the molecule.

Flammability and Explosibility

Non flammable

Synthesis

6'-(Ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one can be prepared from 2-[4-(N-ethyl-N-isopentyl)amino-2-hydroxy-benzoyl]sodium benzoate and 4-methoxy-2-methyldiphenylamine in concentrated sulfuric acid, hydrogen Reaction under the action of sodium.

References

[1] Patent: CN105838105, 2016, A. Location in patent: Paragraph 0083; 0084; 0085; 0086

2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one(70516-41-5)Related Product Information

• Phthalide
• Methoxymethyldiphenylamine
• 7-Anilino-3-diethylamino-6-methyl fluoran
• 2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one