7-AZAINDOLE-4-CARBOXALDEHYDE
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7-AZAINDOLE-4-CARBOXALDEHYDE
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CAS No:
728034-12-6
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Formula:
C8H6N2O
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Chemical Name:
7-AZAINDOLE-4-CARBOXALDEHYDE
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Synonyms:
7-AZAINDOLE-4-CARBOXALDEHYDE;1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde (9CI);1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde;1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde;7-azaindole-4-carbaldehyde;7-Azaindole-4-carbaldehyd...;7-azainole-4-carboxaldehyde
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CAS No:
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
7-AZAINDOLE-4-CARBOXALDEHYDE Use and Manufacturing
Part 4: [0199] 1H-Pyrrolo[2, 3-b]pyridine-4-carboxaldehyde: To a solution of (200 mg, 1.4 mmol) of 1H-Pyrrolo[2, 3-b]pyridine-4-carbonitrile in THF (7 mL) at -78 C. under nitrogen was added Dibal-H (1.0 M in toluene, 3.07 mL, 3.07 mmol). The reaction mixture was stirred at -78 C. for 1 hr, warmed to 55 C. and stirred for additional 2 hr. One additional equivalent of DIBAL-H (1.4 mL, 1.4 mmol) was added and the mixture stirred at 55 C. for 2 hr. The mixture was cooled to 5 C., acidified with 2 M HCl and stirred for 15 min. The mixture was then neutralized with saturated NaHCO3 (aq), extracted with CH2Cl2 (5x25 mL), washed with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to give 1H-Pyrrolo[2, 3-b]pyridine-4-carboxaldehyde (107 mg, 52percent). MS (ES+): 146 [MH+]. 1H NMR (DMSO-d6, 400 MHz): δ 7.22 (d, 1H, J=3.6 Hz), 7.57 (d, 1H, J=4.8 Hz), 7.67 (d, 1H, J=2.4 Hz), 8.61 (d, 1H, J=5.2 Hz), 10.42 (s, 1H).Part 4
Computed Properties
Molecular Weight:146.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:146.048012819
Monoisotopic Mass:146.048012819
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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