| Identification | Back Directory | [Name]
5-BROMOISOPHTHALALDEHYDE | [CAS]
120173-41-3 | [Synonyms]
5-BROMOISOPHTHALALD
5-bromoisophthaldehyde
5-BROMOISOPHTHALALDEHYDE
1,3-BisforMyl-5-broMobenzene
5-bromobenzene-1,3-dicarbaldehyde
5-Bromo-1,3-benzenedicarboxaldehyde
1,3-Benzenedicarboxaldehyde, 5-bromo-
5-BROMOISOPHTHALDEHYDE,5-Bromoisophthalaldehyde,1-bromo-3,5-dicarboxaldehyde,3,5-diformylbromobenzene,1,3- | [Molecular Formula]
C8H5BrO2 | [MDL Number]
MFCD08690086 | [MOL File]
120173-41-3.mol | [Molecular Weight]
213.03 |
| Chemical Properties | Back Directory | [Boiling point ]
307.1±27.0 °C(Predicted) | [density ]
1.652±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
solid | [color ]
Off-white | [InChI]
InChI=1S/C8H5BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H | [InChIKey]
QAQOLRCTTDVBAK-UHFFFAOYSA-N | [SMILES]
C1(C=C(Br)C=C(C=O)C=1)C=O |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 5-bromoisophthalaldehyde from 5-bromo-1,3-dihydroxymethylbenzene: Manganese(IV) dioxide (35.5 g, 408 mmol) was added to a solution of 5-bromo-1,3-phenylenedimethanol (3.60 g, 16.6 mmol) in tetrahydrofuran (250 mL) and the reaction was heated for 4 hr at 60 °C. Upon completion of the reaction, the reaction mixture was filtered through diatomaceous earth and the filtrate was concentrated under reduced pressure to remove the solvent. The final 5-bromoisophthalaldehyde (1.61 g, 46% yield) was obtained as a white solid. | [References]
[1] Tetrahedron Letters, 2000, vol. 41, # 7, p. 1015 - 1018
[2] Synthesis, 1998, # 12, p. 1742 - 1749
[3] Chemische Berichte, 1989, vol. 122, p. 1365 - 1372
[4] New Journal of Chemistry, 2009, vol. 33, # 2, p. 345 - 357
[5] Patent: JP2015/224231, 2015, A. Location in patent: Paragraph 0071 |
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