1,2-DIAMINO-4,5-DIFLUOROBENZENE Chemical Properties

Melting point:

132 °C

Boiling point:

282.2±35.0 °C(Predicted)

Density 

1.407±0.06 g/cm3(Predicted)

storage temp. 

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

form 

powder to crystal

pka

3.51±0.10(Predicted)

color 

White to Brown

InChI

InChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChIKey

PPWRHKISAQTCCG-UHFFFAOYSA-N

SMILES

C1(N)=CC(F)=C(F)C=C1N

Safety Information

Risk Statements 

36/37/39

Safety Statements 

24-36/37

HS Code 

29215900

1,2-DIAMINO-4,5-DIFLUOROBENZENE Usage And Synthesis

Application

4,5-Difluorobenzene-1,2-diamine is an organic synthesis intermediate and a chemical and pharmaceutical intermediate, which can be used in the research and development of organic synthesis reactions in laboratories and in the research and development of chemical and pharmaceutical products.

Chemical Properties

White powder

Synthesis

General procedure for the synthesis of 4,5-difluorophthalimide from 2-nitro-4,5-difluoroaniline: 4,5-difluoro-2-nitroaniline (10 g, 57 mmol) was co-suspended in methanol (150 mL) with 10% palladium carbon catalyst (2.0 g, 1.9 mmol). The reaction system was transferred to a hydrogenation unit and the catalytic hydrogenation reaction was carried out under 50 psi hydrogen pressure. After 3 hours of reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to give a solid product. The resulting solid was dried under vacuum at room temperature overnight to obtain white crystalline 4,5-difluorophthalimide (8.05 g, 98% yield).

References

[1] Journal of Medicinal Chemistry, 1993, vol. 36, # 3, p. 331 - 342
[2] Patent: US2005/43292, 2005, A1. Location in patent: Page/Page column 14
[3] Patent: EP2766359, 2016, B1. Location in patent: Paragraph 0755
[4] Journal of Medicinal Chemistry, 1997, vol. 40, # 5, p. 811 - 818
[5] Russian Journal of Organic Chemistry, 2001, vol. 37, # 4, p. 564 - 569

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