| Identification | Back Directory | [Name]
3.5dibromo-1H-pyrazole | [CAS]
67460-86-0 | [Synonyms]
3,5-Dibromopyrazole
3,5-Dibromo-1H-pyrazoL
3.5dibromo-1H-pyrazole
3,5-Bibromo-1H-pyrazole
1H-Pyrazole, 3,5-dibromo-
3,5-dibromo-1H-pyrazole(WXC07881) | [EINECS(EC#)]
826-274-9 | [Molecular Formula]
C3H2Br2N2 | [MDL Number]
MFCD00159645 | [MOL File]
67460-86-0.mol | [Molecular Weight]
225.87 |
| Chemical Properties | Back Directory | [Boiling point ]
321.8±22.0 °C(Predicted) | [density ]
2.419±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
7.76±0.10(Predicted) | [InChI]
InChI=1S/C3H2Br2N2/c4-2-1-3(5)7-6-2/h1H,(H,6,7) | [InChIKey]
UQFIWKBFQXGMJD-UHFFFAOYSA-N | [SMILES]
N1C(Br)=CC(Br)=N1 |
| Hazard Information | Back Directory | [Chemical Properties]
3,5-Dibromo-1H-pyrazole is a chemical compound that belongs to the group of c1-c6 alkoxy. It has been shown to be a solid catalyst for copolymerization reactions and also has been used in the synthesis of polymers with ethyl groups, hydroxyl groups, and active methylene groups. Its regulatory properties are related to its valency and stereoisomers. 3,5-Dibromo-1H-pyrazole can be found in Alzheimer's disease as a quaternary ammonium salt. | [Uses]
3,5-Dibromo-1H-pyrazole is a pale yellow powder and should be stored at 2-8°C under a nitrogen or argon atmosphere. As an important pharmaceutical intermediate, 3,5-Dibromopyrazole can be used to synthesize drugs that selectively bind to and inhibit G12C mutants of KRAS, HRAS, or NRAS, and can be used to treat cancer, particularly cancers characterized by G12C mutations in KRAS, HRAS, or NRAS. As a bromine-containing small organic molecule, it can serve as an important bromine domain in the synthesis of small-molecule BRD4 inhibitors. BRD4 is a bromine-containing protein, and studies have shown that dysregulation of BRD4 expression is associated with the development of various cancers, including leukemia, breast cancer, and colon cancer. | [Synthesis Reference(s)]
[1] Huettel; Schoen
[Justus Liebigs Annalen der Chemie, 1959, vol. 625, p. 55,60. | [Safety]
3,5-Dibromo-1H-pyrazole is irritating to the skin and eyes. In addition, it is acutely toxic. | [Synthesis]
The 3,5-dibromo-1H-pyrazole-4-carboxylic acid was treated with trifluorosulfonic anhydride to yield sulphonate, and the bromo-benzene was treated with bromine water, the corresponding Grignard reagent was prepared, then the benzene ring was hydrolyzed, to yield the product 3,5-Dibromo-1H-pyrazole [1].
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