2,5-Dibromoterephthalic acid diethyl ester Chemical Properties

Melting point:

127.0 to 131.0 °C

Boiling point:

335°C(lit.)

Density 

1.647±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

color 

White to Almost white

InChI

InChI=1S/C12H12Br2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3

InChIKey

WXRSDHICEYICMV-UHFFFAOYSA-N

SMILES

C1(C(OCC)=O)=CC(Br)=C(C(OCC)=O)C=C1Br

CAS DataBase Reference

18013-97-3

Safety Information

HS Code 

2917.39.7000

2,5-Dibromoterephthalic acid diethyl ester Usage And Synthesis

Application

Diethyl 2,5-dibromoterephthalate is an organic intermediate that can be used to prepare high-efficiency wear-resistant brush roller materials, organic solar cell acceptor materials, or perovskite cell electron transport layer materials.

Synthesis

The general procedure for the synthesis of diethyl 2,5-dibromoterephthalate from ethanol and 2,5-dibromoterephthalic acid is as follows: first, 2,5-dibromoterephthalic acid is esterified with ethanol in the presence of an acidic catalyst. Upon completion of the reaction, excess ethanol and water generated in the reaction are removed by distillation. Subsequently, the reaction mixture is cooled to room temperature and washed by adding an appropriate amount of water to remove unreacted acid and catalyst. Finally, the target product diethyl 2,5-dibromoterephthalate was purified by recrystallization or column chromatography.

References

[1] Patent: US2010/168444, 2010, A1. Location in patent: Page/Page column 4-8
[2] Organic Letters, 2014, vol. 16, # 1, p. 106 - 109
[3] Crystal Growth and Design, 2016, vol. 16, # 7, p. 3993 - 4004
[4] Chemical Communications, 2010, vol. 46, # 35, p. 6503 - 6505
[5] Chemistry - A European Journal, 2008, vol. 14, # 36, p. 11328 - 11342

2,5-Dibromoterephthalic acid diethyl ester(18013-97-3)Related Product Information

• Phthalates
• Dimethyl phthalate
• Dibutyl phthalate
• 2,7-Dibromonaphthalene
• 2,5-Dibromoterephthalic acid