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Cas Database |
| Name |
5-Formyl-2-methylpyridine |
EINECS | N/A |
| CAS No. | 53014-84-9 | Density | 1.095 g/cm3 |
| PSA | 29.96000 | LogP | 1.20250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H7NO | Boiling Point | 213.704 °C at 760 mmHg |
| Molecular Weight | 121.139 | Flash Point | 87.556 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 22-36 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Nicotinaldehyde,6-methyl- (6CI,7CI);2-Methyl-5-pyridinecarboxaldehyde;6-Methyl-3-pyridinecarbaldehyde;6-Methyl-3-pyridinecarboxaldehyde;6-Methylnicotinaldehyde;6-Methylpyridyl-3-carboxaldehyde;3-Formyl-6-methylpyridine; |
Article Data | 30 |
5-Formyl-2-methylpyridine Synthetic route
- 34107-46-5
6-methyl-3-pyridinemethanol
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| Stage #1: 6-methyl-3-pyridinemethanol With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -60℃; for 1.33333h; Stage #2: With triethylamine In dichloromethane at -60 - 20℃; for 0.166667h; | 85% |
| With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -60℃; for 1.5h; | 85% |
| With lead(IV) acetate In toluene for 2.5h; Heating; | 57% |
- 3430-13-5
5-bromo-2-methylpyridine
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-2-methylpyridine With n-butyllithium; isopropylmagnesium chloride In tetrahydrofuran; hexane at -10℃; for 0.5h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 2h; | 85% |
| Stage #1: 5-bromo-2-methylpyridine With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78℃; for 1h; | 72% |
| Stage #1: 5-bromo-2-methylpyridine With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78℃; for 1h; | 72% |
| Stage #1: 5-bromo-2-methylpyridine With n-butyllithium; isopropylmagnesium chloride In tetrahydrofuran; hexane at 10℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at 20℃; for 2h; | 38% |
| Stage #1: 5-bromo-2-methylpyridine With isopropylmagnesium chloride In tetrahydrofuran at 0 - 20℃; for 6h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0 - 20℃; | 4.5 g |
- 13061-96-6
dihydroxy-methyl-borane
- 149806-06-4
6-bromonicotinaldehyde
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| 16% |
- 106837-80-3
6-methyl-pyridine-3-carbaldehyde semicarbazone
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water; 3-nitro-benzaldehyde |
| Conditions | Yield |
|---|---|
| β-VO(PO3)2 In gas at 400℃; Product distribution; Rate constant; selectivity of reaction, rates of partial and total oxidation; |
- 221615-71-0
N-methoxy-N-methyl-6-methylnicotinamide
A
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In toluene at -20 - -5℃; for 0.5h; |
- 5470-70-2
Methyl 6-methylnicotinate
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: i-PrMgCl / toluene; tetrahydrofuran / 0.5 h / -10 °C 2: DIBAL-H / toluene / 0.5 h / -20 - -5 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 75 percent / LAH / diethyl ether / 0.5 h / -78 °C 2: 1.) oxalyl chloride, dimethyl sulfoxide, 2.) triethylamine / 1.) methylene chloride, -60 deg C, 20 min, 2.) from -60 deg C to RT View Scheme | |
| Stage #1: Methyl 6-methylnicotinate With lithium aluminium tetrahydride In tetrahydrofuran at -78℃; for 4h; Stage #2: With manganese(IV) oxide In dichloromethane for 6h; Heating / reflux; |
- 21684-59-3
ethyl 6-methylnicotinate
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 89 percent / sodium bis(2-methoxyethoxy)aluminum hydride / diethyl ether / Heating 2: 57 percent / Pb(OAc)4 / toluene / 2.5 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran View Scheme | |
| Multi-step reaction with 2 steps 1: diethyl ether; water 2: pyridine; water View Scheme |
- 3222-48-8
6-methylnicotinonitrile
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Raney nickel; ethanol / Hydrogenation.unter Zusatz einer wss. Loesung von Semicarbazid-hydrochlorid und Natriumacetat 2: 3-nitro-benzaldehyde; hydrochloric acid; water View Scheme |
- 140-76-1
2-methyl-5-vinylpyridine
- 53014-84-9
2-methyl-5-formylpyridine
| Conditions | Yield |
|---|---|
| With sodium periodate; osmium(VIII) oxide In 1,2-dimethoxyethane; water |
5-Formyl-2-methylpyridine Specification
The 3-Pyridinecarboxaldehyde,6-methyl-, with the CAS registry number 53014-84-9, is also known as 3-Formyl-6-methyl-pyridine. It belongs to the product categories of Pyridine; Pyridines; Building Blocks. This chemical's molecular formula is C7H7NO and molecular weight is 121.14. What's more, its systematic name is 6-Methylpyridine-3-carbaldehyde.
Physical properties of 3-Pyridinecarboxaldehyde,6-methyl- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 33; (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: 1.563; (14)Molar Refractivity: 35.922 cm3; (15)Molar Volume: 110.598 cm3; (16)Polarizability: 14.241×10-24 cm3; (17)Surface Tension: 43.555 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 87.556 °C; (20)Enthalpy of Vaporization: 45.003 kJ/mol; (21)Boiling Point: 213.704 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(C=C1)C=O
(2)InChI: InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3
(3)InChIKey: IMWMEIWYPWVABQ-UHFFFAOYSA-N
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