3-FLUORO-2-FORMYLPYRIDINE
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3-FLUORO-2-FORMYLPYRIDINE
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CAS No:
31224-43-8
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Formula:
C6H4FNO
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Chemical Name:
3-FLUORO-2-FORMYLPYRIDINE
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Synonyms:
3-FLUOROPYRIDINE-2-CARBALDEHYDE;3-FLUOROPYRIDINE-2-CARBOXALDEHYDE;3-FLUORO-2-FORMYLPYRIDINE;3-Fluoropyridine-2-carboxaldehyde 97%;3-Fluoropyridine-2-carboxaldehyde97%;2-Pyridinecarboxaldehyde,3-fluoro-(9CI);3-FLURO-2-FORMYLPYRIDINE;3-FLUOROPYRIDINE-2-CARBOXALDEHYDE/3-FLUORO-2-FORMYLPYRIDINE
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CAS No:
Characteristics
30
0.7
Solid
1.3±0.1 g/cm3
49 °C
112°C/50mmHg(lit.)
54.5±21.8 °C
1.544
Slightly soluble in water.
Safety Information
36/37/38
26
Xi
Harmful
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-FLUORO-2-FORMYLPYRIDINE Use and Manufacturing
To a solution of DABCO (8.8 g, 78.2 mmol) in anhydrous diethyl ether (250 mL) at -25° C. was added n-BuLi (1.6 M in hexanes, 49 mL, 78.2 mmol). The mixture was stirred between -25 to -10° C. for 45 min and then cooled to -70° C. To the above solution was added 3-fluoropyridine (5.9 mL, 71 mmol) dropwise. The reaction was stirred between -70 to -60° C. for 1.5 h before DMF (11.0 mL, 2.0 eq.) was added. After 1.0 h stirring at -70° C., water (150 mL) was added and warmed up to rt. The layers were separated and the aqueous layer was extracted with methylene chloride (5.x.100 mL). The combined organic layer was washed with brine and dried over Nan-Butyllithium (2.0 M in hexanes, 27.5 ml, 55 mmol) was added dropwise over 10 minutes at -20ra-Butyl lithium (1.6 M in hexanes, 6.86 mL, 11.0 mmol) was added to a stirred solution of 1, 4- diazobicyclo[2.2.2]-octane (1.23 g, 11.0 mmol) in dry Et2-Formyl-3-fluoropyridine
Computed Properties
Molecular Weight:125.10
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:125.027691913
Monoisotopic Mass:125.027691913
Topological Polar Surface Area:30
Heavy Atom Count:9
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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