| Identification | Back Directory | [Name]
2,5-Dibromoterephthalic acid diethyl ester | [CAS]
18013-97-3 | [Synonyms]
ethyl 2,5-dibromoterephthala
ethyl 2,5-dibromoterephthalate
Diethyl 2,5-dibromoterephthalate
Diethyl2,5-Dibromoterephthalate>
2,5-Dibromoterephthalic acid diethyl ester
Diethyl 2,5-dibromobenzene-1,4-dicarboxylate
Diethyl 1,4-dibromo-2,5-benzenedicarboxylate
Diethyl 2,5-dibromo-1,4-benzenedicarboxylate
2,5-dibromobenzene-1,4-dicarboxylic acid diethyl ester
1,4-Benzenedicarboxylicacid, 2,5-dibromo-, 1,4-diethyl ester | [Molecular Formula]
C12H12Br2O4 | [MDL Number]
MFCD12407163 | [MOL File]
18013-97-3.mol | [Molecular Weight]
380.05 |
| Chemical Properties | Back Directory | [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 |
| Questions And Answer | Back Directory | [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. |
| Hazard Information | Back Directory | [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 |
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