ChemicalBook--->CAS DataBase List--->53014-84-9

53014-84-9

53014-84-9 Structure

53014-84-9 Structure
IdentificationBack Directory
[Name]

3-FORMYL-6-METHYL-PYRIDINE
[CAS]

53014-84-9
[Synonyms]

5-FORMYL-2-PICOLINE
6-Methylnicotinaldehyde
5-Formyl-2-methylpyridine
3-FORMYL-6-METHYL-PYRIDINE
3-Formyl-6-methyl-pyridine ,97%
6-Methylpyridine-3-carboxaldehyde
6-METHYL-3-PYRIDINECARBOXALDEHYDE
3-Pyridinecarboxaldehyde, 6-methyl-
6-Methylpyridine-3-carboxaldehyde 97%
5-ForMyl-2-picoline/6-Methylnicotinaldehyde
2-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
6-Methylpyridine-3-carboxaldehyde, 5-Formyl-2-methylpyridine
[Molecular Formula]

C7H7NO
[MDL Number]

MFCD08272279
[MOL File]

53014-84-9.mol
[Molecular Weight]

121.14
Chemical PropertiesBack Directory
[Boiling point ]

95℃/20mm
[density ]

1.084
[refractive index ]

1.546
[Fp ]

88℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Liquid
[pka]

4.15±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Sensitive ]

Moisture Sensitive
[InChI]

InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3
[InChIKey]

IMWMEIWYPWVABQ-UHFFFAOYSA-N
[SMILES]

C1=NC(C)=CC=C1C=O
[CAS DataBase Reference]

53014-84-9
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227-H315-H335-H302-H319
[Precautionary statements ]

P210e-P261-P280a-P405-P501a-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->N,N-Dimethylformamide-->n-Butyllithium-->Magnesium-->2-Chloropropane-->2-Bromo-5-methylpyridine-->(6-Methylpyridin-3-yl)methanol-->5-Bromo-2-methylpyridine-->Triethylamine-->Dichloromethane
[Preparation Products]

2-Methyl-5-vinylpyridine-->3-Pyridinepropanoicacid,-bta--amino-6-methyl-(9CI)
Questions And AnswerBack Directory
[Application]

3-Aldehyde-6-methylpyridine is a pyridine heterocyclic compound mainly used in laboratory research and development of organic synthesis processes.
Spectrum DetailBack Directory
[Spectrum Detail]

3-FORMYL-6-METHYL-PYRIDINE(53014-84-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

To a solution of 5-bromo-2-methylpyridine (151; 10 g, 58.1 mmol) in THF (150 mL) was added n-BuLi (2.5 M, 25.6 mL) at -78 ℃. The reaction mixture was stirred at this temperature for Ih. DMF (1.30 mL) was added,, and the resulting reaction mixture was stirred for 1 h at -78 °C. The addition of aq quenched the reaction. NH4Cl. Upon warming to room temperature, the mixture was extracted with EtOAc. The combined organic layers were dried (Na2SO4) and concentrated under reduced pressure. The resulting residue was purified by chromatography to afford 6-methylnicotinaldehyde 152 (5.0 g, 72percent).
[References]

[1] Patent: US2006/287341, 2006, A1. Location in patent: Page/Page column 46
[2] Patent: US2007/4772, 2007, A1. Location in patent: Page/Page column 82
[3] Journal of Medicinal Chemistry, 1989, vol. 32, # 3, p. 583 - 593
[4] Journal of Organic Chemistry, 1988, vol. 53, # 15, p. 3513 - 3521
[5] Patent: US4778796, 1988, A
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