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ChemicalBook--->CAS DataBase List--->88491-61-6

88491-61-6

88491-61-6 Structure

88491-61-6 Structure
IdentificationBack Directory
[Name]

Pyridazine, 3-bromo(9CI)
[CAS]

88491-61-6
[Synonyms]

3-bromopyridazine
Pyridazine, 3-broMo-
3-Bromopyridazine ,97%
Pyridazine, 3-bromo- (9CI)
3-broMopyridazine hydrobroMide
[Molecular Formula]

C4H3BrN2
[MDL Number]

MFCD10688587
[MOL File]

88491-61-6.mol
[Molecular Weight]

158.984
Chemical PropertiesBack Directory
[Melting point ]

73-74 °C
[Boiling point ]

270.0±13.0 °C(Predicted)
[density ]

1.726±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

0.99±0.10(Predicted)
[CAS DataBase Reference]

88491-61-6
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H332-H315
[Precautionary statements ]

P280-P301+P312-P362+P364
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Palladium-->Hydrazinium hydroxide solution-->Phosphorus oxybromide-->Mucobromic acid-->3(2H)-Pyridazinone
Questions And AnswerBack Directory
[Description]

3-Bromopyridine can undergo lithiation with LDA at low temperatures in the 4-position: Heterocycles, involved in formation of the Grignard by Mg exchange with i-PrMgCl and in transmetallation of the lithiated derivative with zinc chloride followed by treatment with an electrophile as a route to 4-substituted 3-bromopyridines1-4. 3-Bromopyridine is also used as an intermediate in the synthesis of Active Pharmaceutical Ingredients especially Abiraterone acetate (an antiandrogen medication which is used in the treatment of prostate cancer) and Zimelidine (selective serotonin reuptake inhibitor (SSRI) antidepressants)5.
[References]

  1. Jennifer A. Love Dr.; John P. Morgan.;Tina M. Trnka.;Robert H. Grubbs Prof. A Practical and Highly Active Ruthenium-Based Catalyst that Effects the Cross Metathesis of Acrylonitrile. Angewandte Chemie International Edition. 2002, 41 (21), 4035-4037.
  2. Wenjie Li.; Dorian P. Nelson.; Mark S. Jensen.; R. Scott Hoerrner.; Dongwei Cai.; Robert D. Larsen.; Paul J. Reider. An Improved Protocol for the Preparation of 3-Pyridyland Some Arylboronic Acids. J. Org. Chem. 2002, 57 (16), 5394-5397.
  3. https://www.alfa.com/en/catalog/A12894/
  4. Cai, Dongwei, R. D. Larsen, and P. J. Reider. "Effective lithiation of 3-bromopyridine: synthesis of 3-pyridine boronic acid and variously 3-substituted pyridines." Cheminform 33.38(2002):4285-4287.
  5. www.jubl.com/uploads/files/48msds_msds-3-bromopyridine.pdf
Spectrum DetailBack Directory
[Spectrum Detail]

Pyridazine, 3-bromo- (9CI)(88491-61-6)1HNMR
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