| Identification | Back Directory | [Name]
3-BROMOIMIDAZO[1,2-B]PYRIDAZINE | [CAS]
18087-73-5 | [Synonyms]
Ponatinib Impurity 2
Ponatinib intermediate
3-BroMoiMidazo[1,2-b]pyri...
3-broMoiMidazo(1,2-b)pyridazin
3-BROMOIMIDAZO[1,2-B]PYRIDAZINE
IMidazo[1,2-b]pyridazine, 3-broMo-
3-Bromoimidazo[1,2-b]pyridazine >
3-Bromoimidazo[1,2-b]pyridazine
3-BROMOIMIDAZO[1,2-B]PYRIDAZINE 18087-73-5
3-BROMOIMIDAZO[1,2-B]PYRIDAZINE ISO 9001：2015 REACH | [Molecular Formula]
C6H4BrN3 | [MDL Number]
MFCD09757672 | [MOL File]
18087-73-5.mol | [Molecular Weight]
198.03 |
| Chemical Properties | Back Directory | [Melting point ]
148.0 to 152.0 °C | [density ]
1.89 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
2.35±0.30(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C6H4BrN3/c7-5-4-8-6-2-1-3-9-10(5)6/h1-4H | [InChIKey]
KJQVHOFAWISYDO-UHFFFAOYSA-N | [SMILES]
C12=NC=C(Br)N1N=CC=C2 | [CAS DataBase Reference]
18087-73-5 |
| Hazard Information | Back Directory | [Uses]
3-Bromoimidazo[1,2-B]pyridazine is a pharmaceutical intermediate compound. It is used in the preparation of Ponatinib, a tyrosine kinase inhibitor (TKI), which is used in the treatment of chronic myeloid leukaemia (CML) and Philadelphia chromosome-positive acute lymphoblastic leukaemia (Ph+ ALL). | [Synthesis]
Imidazo[1,2-b]pyridazine (6.0 g, 50.4 mmol) was used as starting material, and N-bromosuccinimide (NBS, 6.0 g, 75.6 mmol) and a catalytic amount of azobisisobutyronitrile (AIBN) were added in 50 mL of chloroform. The reaction mixture was heated and refluxed for 2 h, during which the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was cooled to room temperature and subsequently stirred under ice bath conditions to promote precipitation. The precipitate was separated by filtration and the filtrate was concentrated to afford the target product 3-bromoimidazo[1,2-b]pyridazine as a pale yellow solid in 75% yield. | [References]
[1] Patent: CN105418615, 2016, A. Location in patent: Paragraph 0079 ; 0080 ; 0081; 0082; 0083; 0084
[2] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 23, p. 5830 - 5835
[3] Patent: EP2818471, 2014, A1. Location in patent: Paragraph 0122; 0123
[4] Synthesis, 1981, # 12, p. 987 - 989
[5] Patent: WO2016/210036, 2016, A1. Location in patent: Page/Page column 107 |
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