6-Chloro-2-fluoropyridine-3-carboxaldehyde
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6-Chloro-2-fluoropyridine-3-carboxaldehyde
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CAS No:
1093880-37-5
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Formula:
C6H3ClFNO
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Chemical Name:
6-Chloro-2-fluoropyridine-3-carboxaldehyde
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Synonyms:
6-Chloro-2-fluoronicotinaldehyde;6-chloro-2-fluoropyridine-3-carbaldehyde;6-Chloro-2-fluoropyridine-3-carboxaldehyde;6-Chloro-2-fluoro-pyridine-3-carbaldehyde;6-chloro-2-fluoro-3-Pyridinecarboxaldehyde;SCHEMBL3509732;DTXSID90679603;KS-000019QO;ZINC71256090;AKOS024261136
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CAS No:
Characteristics
30
1.7
1.444±0.06 g/cm3(Predicted)
49-50 °C(Solv: hexane (110-54-3))
255.5±35.0 °C(Predicted)
6-Chloro-2-fluoropyridine-3-carboxaldehyde Use and Manufacturing
Synthesis of Phantasmidine (Figure 3) 6-Chloro-2-fluoropyridine-3-carboxaldehyde (8b). A solution of diisopropylamine (5.80 mL, 41.5 mmol) in anhydrous THF (100 mL) was treated with n- BuLi (2.1 M in hexanes, 18.0 mL, 37.8 mmol) at -78 °C. The cold bath was removed and the resulting solution was stirred at 0 °C for 30 min. The light yellow solution was re- cooled to -78 °C and 2-chloro-6-fluoropyridine (15, 3.80 g, 29.0 mmol) in anhydrous THF (20 mL) was added dropwise. The reaction mixture was stirred at -78 °C for 1 h. Dimethylformamide (4.49 mL, 58.0 mmol) was added dropwise and the mixture was stirred an additional 1 h and saturated HCl in ether was added at -78 °C slowly to the mixture until pH 1 was reached. The reaction was warmed to 25 °C and H2, 2' -(2, 2' -dichloro-[ 1 , 1' -biphenyl] -3, 3' -diyl)bis(4, 4, 5 , 5 -tetramethyl- 1 , 3 , 2-dioxaborolane) (500 mg, 1.05 mmol), To the solution of To the solution of
Computed Properties
Molecular Weight:159.54
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.9887196
Monoisotopic Mass:158.9887196
Topological Polar Surface Area:30
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Chloro-2-fluoropyridine-3-carboxaldehyde
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