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CAS No.: | 128071-75-0 |
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Name: | 2-BROMO-3-FORMYLPYRIDINE |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C6H4BrNO |
Molecular Weight: | 186.008 |
Synonyms: | 2-Bromo-3-pyridinecarboxaldehyde;2-Bromo-3-formylpyridine;2-Bromonicotinaldehyde; |
Density: | 1.683 g/cm3 |
Melting Point: | 73 °C |
Boiling Point: | 267.7 °C at 760 mmHg |
Flash Point: | 115.7 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36-43 |
Safety: | 26-36/37 |
PSA: | 29.96000 |
LogP: | 1.65660 |
2-bromo-pyridine
N,N-dimethyl-formamide
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
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Stage #1: 2-bromo-pyridine With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 3h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78℃; for 1h; Further stages.; | 85% |
Stage #1: 2-bromo-pyridine With lithium diisopropyl amide In tetrahydrofuran at -50℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran for 1h; Temperature; Reagent/catalyst; | 78% |
Stage #1: 2-bromo-pyridine With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 4h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; | 75% |
(2-bromopyrid-3-yl)methanol
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
---|---|
With phosphoric acid; dimethyl sulfoxide; dicyclohexyl-carbodiimide for 1.5h; Ambient temperature; | 83% |
With phosphoric acid; dimethyl sulfoxide; dicyclohexyl-carbodiimide at 20℃; for 1.5h; | 80% |
2-bromo-3-(dibromomethyl)-pyridine
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
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With calcium carbonate In water for 8h; Heating; | 83% |
With calcium carbonate In water for 14h; Reflux; | 78% |
With water; calcium carbonate at 100℃; for 7h; | 60% |
Conditions | Yield |
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With lithium | 42% |
Conditions | Yield |
---|---|
Stage #1: 2-bromo-pyridine With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 2h; Stage #2: formic acid ethyl ester In tetrahydrofuran at -78℃; for 1h; Stage #3: With water; ammonium chloride In tetrahydrofuran at -30℃; | 11% |
2,6-Dibromopyridine
N,N-dimethyl-formamide
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
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Yield given. Multistep reaction; |
2,4-dibromopyridine
N,N-dimethyl-formamide
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
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Yield given. Multistep reaction; |
2,5-dibromopyridine
N,N-dimethyl-formamide
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
C9H8BrNO4
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.03 g / LiAlH4 / tetrahydrofuran / 0.5 h / -78 °C 2: 80 percent / N,N'-dicyclohexylcarbodiimide; H3PO4; DMSO / 1.5 h / 20 °C View Scheme |
2-bromo-3-picoline
2-bromopyridine-3-carboxaldehyde
Conditions | Yield |
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Multi-step reaction with 4 steps 1: 98 percent / KMnO4; H2O / 20 h / Heating 2: Et3N / benzene / 1 h / 20 °C 3: 1.03 g / LiAlH4 / tetrahydrofuran / 0.5 h / -78 °C 4: 80 percent / N,N'-dicyclohexylcarbodiimide; H3PO4; DMSO / 1.5 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 83 percent / N-bromosuccinimide; benzoylperoxyde / CCl4 / 4 h / Heating 2: 83 percent / CaCO3 / H2O / 8 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: 70 percent / KMnO4 / H2O / Heating 2: 1) NEt3, ethyl chloroformate, 2) LiAlH4 / 1) benzene, rt, 1 h, 2) THF, -78 deg C, 30 min 3: 83 percent / DMSO, N,N'-dicyclohexylcarbodiimide, H3PO4 / 1.5 h / Ambient temperature View Scheme | |
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / dichloromethane / 4 h / 80 °C / Inert atmosphere 2: calcium carbonate; water / 7 h / 100 °C View Scheme | |
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 4 h / Reflux 2: calcium carbonate / water / 14 h / Reflux View Scheme |
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The 3-Pyridinecarboxaldehyde,2-bromo-, with the CAS registry number 128071-75-0, is also known as 2-Bromo-3-formylpyridine. It belongs to the product categories of Pharmacetical; Aldehydes; Pyridines; Pyridine; Pyridines derivates; Halogenated; Organohalides; Bromopyridines; Halopyridines. This chemical's molecular formula is C6H4BrNO and molecular weight is 186.01. What's more, its systematic name is 2-bromopyridine-3-carbaldehyde. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as an organic reagent and a pharmaceutical intermediate.
Physical properties of 3-Pyridinecarboxaldehyde,2-bromo- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.36; (8)ACD/KOC (pH 7.4): 82.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.78 cm3; (15)Molar Volume: 110.5 cm3; (16)Polarizability: 15.37×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.683 g/cm3; (19)Flash Point: 115.7 °C; (20)Enthalpy of Vaporization: 50.58 kJ/mol; (21)Boiling Point: 267.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00802 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes and may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccnc1Br
(2)Std. InChI: InChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
(3)Std. InChIKey: GNFWMEFWZWXLIN-UHFFFAOYSA-N