ChemicalBook--->CAS DataBase List--->1207836-10-9

1207836-10-9

1207836-10-9 Structure

1207836-10-9 Structure
IdentificationBack Directory
[Name]

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
[CAS]

1207836-10-9
[Synonyms]

LOXO-292 intermediate
6-Bromo-4-methoxypyrazoL
o[1,5-a]pyridine-3-carbonitriL
6-bromo-4-methoxypyrazole[1,5-a]pyridine-3-carbonitrile
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-bromo-4-methoxy-
[EINECS(EC#)]

210-745-2
[Molecular Formula]

C9H6BrN3O
[MDL Number]

MFCD27937916
[MOL File]

1207836-10-9.mol
[Molecular Weight]

252.07
Chemical PropertiesBack Directory
[density ]

1.67±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

-1.97±0.30(Predicted)
[InChI]

InChI=1S/C9H6BrN3O/c1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h2,4-5H,1H3
[InChIKey]

JTEWRYBKHXGXHP-UHFFFAOYSA-N
[SMILES]

C12=C(C#N)C=NN1C=C(Br)C=C2OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is a pharmaceutical intermediate ingredient for the preparation of Selpercatinib, indicated for the treatment of patients with advanced cancers who test positive for certain RETs.
[Uses]

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is  an organic intermediate for laboratory R&D processes.
[Synthesis]

The DMF 10L solution of 2,4,6-trimethylbenzenesulfonic acid 3-bromo-5-methoxypyridinamine salt 2000g (4.96mol, 1.0eq), 2-chloropropene cyanide (7.44mol, 1.5eq)  was added with potassium carbonate 684g (4.96mol, 1.0eq) and stirred at 20-30°C for 8h.  Then the mixtrue was heated with dropwise 1132g (7.44mol, 1.5eq) of diazabicyclo at 50-60°C for 20h. After the reaction is finished and poured into water 30 L at RT.  the solution was filtered, washed with water and recrystallized in ethanol to give a pale yellow solid, 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (702g 56%).
Spectrum DetailBack Directory
[Spectrum Detail]

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile(1207836-10-9)1HNMR
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