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ChemicalBook--->CAS DataBase List--->65873-72-5

65873-72-5

65873-72-5 Structure

65873-72-5 Structure
IdentificationMore
[Name]

6-Methoxynicotinaldehyde
[CAS]

65873-72-5
[Synonyms]

2-METHOXYPYRIDINE-5-CARBOXALDEHYDE
3-FORMYL-6-METHOXYPYRIDINE
5-FORMYL-2-METHOXYPYRIDINE
6-METHOXY-3-NICOTINALDEHYDE
6-METHOXY-3-PYRIDINECARBOXALDEHYDE
6-METHOXYNICOTINALDEHYDE
6-METHOXY-PYRIDINE-3-CARBALDEHYDE
3-Pyridinecarboxaldehyde, 6-methoxy-(9CI)
2-methoxy-5-pyridinecarboxaldehyde
2-Methoxypyridine-5-carboxaldehyde, 5-Formyl-2-methoxypyridine
6-methoxy-3-pyridinecorbaxaldehyde
6-Methoxypyridine-3-carboxaldehyde, 98%
6-Methoxy-3-pyridinecarboxaldehyde ,97%
[EINECS(EC#)]

627-354-4
[Molecular Formula]

C7H7NO2
[MDL Number]

MFCD02683446
[Molecular Weight]

137.14
[MOL File]

65873-72-5.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light yellow crystalline powder
[Melting point ]

51-54 °C (lit.)
[Boiling point ]

65-70 °C(Press: 12 Torr)
[density ]

1.159±0.06 g/cm3(Predicted)
[Fp ]

225 °F
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Crystalline Powder
[pka]

1.60±0.10(Predicted)
[color ]

Off-white to light yellow
[Water Solubility ]

insoluble
[Detection Methods]

HPLC
[InChI]

InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3
[InChIKey]

CTAIEPPAOULMFY-UHFFFAOYSA-N
[SMILES]

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

65873-72-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

5-Bromo-2-methoxypyridine

13472-85-0

N,N-Dimethylformamide

68-12-2

6-Methoxynicotinaldehyde

65873-72-5

At -78 °C, N-butyllithium (50 mL, 2.5 M hexane solution) was slowly added dropwise to a solution of 5-bromo-2-methoxypyridine (22.4 g, 119.1 mmol) in anhydrous tetrahydrofuran (240 mL). After the dropwise addition, the reaction mixture was continued to be stirred at -78 °C for 90 min. Subsequently, N,N-dimethylformamide (18.5 mL, 238.3 mmol) was added slowly dropwise and stirring was continued for 90 min at -78 °C. Upon completion of the reaction, the mixture was slowly warmed to room temperature. The reaction mixture was poured into saturated sodium bicarbonate solution (1000 mL) and extracted with ether (3 x 250 mL). The organic phases were combined, dried with magnesium sulfate, filtered and concentrated to dryness to give 15.4 g (94% yield) of 6-methoxy-3-pyridinecarboxaldehyde as a light yellow solid. The product was characterized by 1H NMR (DMSO-d6): δ= 9.97 (s, 1H), 8.77 (m, 1H), 8.12 (dd, 1H, J = 8.6, 2.3 Hz), 6.99 (d, 1H, J = 8.7 Hz), 3.97 (s, 3H).LC/MS analysis (Method A): retention time = 0.25 min, purity = 92.8%, calculated mass = 137, [M + H]+ = 138. HPLC analysis (Method C): retention time = 4.9 min, purity = 95.9% (210-370 nm) and 98.7% (256 nm).

references:

[1] Synthesis, 2012, vol. 44, # 5, p. 735 - 746

[2] Journal of medicinal chemistry, 2004, vol. 47, # 20, p. 4829 - 4837

[3] Patent: US2006/19965, 2006, A1. Location in patent: Page/Page column 27

[4] Synthesis, 1994, # 1, p. 87 - 92

[5] Synlett, 2009, # 15, p. 2508 - 2512

Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Diethyl ether-->Tetrahydrofuran-->Acetic acid-->Sodium-->N,N-Dimethylformamide-->Government regulation-->Sodium sulfate-->n-Butyllithium-->Sodium bicarbonate-->Nitrogen-->Sodium acetate trihydrate-->2,5-Dibromopyridine-->2-Methoxypyridine-->5-Bromo-2-methoxypyridine
[Preparation Products]

6-Methoxynicotinic acid-->(6-methoxypyridin-3-yl)methanol-->3-Pyridinecarboxaldehyde,1,6-dihydro-1-(1-methylethyl)-6-oxo-(9CI)
Hazard InformationBack Directory
[Chemical Properties]

off-white to light yellow crystalline powder
[Uses]

An intermediate for the synthesis of the somatostatic sst3 receptor.
[General Description]

6-Methoxy-3-pyridinecarboxaldehyde, also known as 6-methoxy-3-nicotinaldehyde, can be prepared from 5-bromo-2-methoxypyridine.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Methoxynicotinaldehyde(65873-72-5)1HNMR
6-Methoxynicotinaldehyde(65873-72-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Methoxy-3-pyridinecarboxaldehyde, 97%(65873-72-5)
[Alfa Aesar]

6-Methoxypyridine-3-carboxaldehyde, 98%(65873-72-5)
[Sigma Aldrich]

65873-72-5(sigmaaldrich)
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