4'-METHOXYVALEROPHENONE
- CAS NO.:1671-76-7
- Empirical Formula: C12H16O2
- Molecular Weight: 192.25
- MDL number: MFCD00027236
- EINECS: 216-803-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2022-12-21 16:56:50
What is 4'-METHOXYVALEROPHENONE?
Preparation
To a solution of N-methoxy-N-methyl-2-pyridyl urethane (364.4 mg, 2 mmol) in THF (6 mL), p-methoxyphenylmagnesium bromide (0.25 m in THF, 8 mL, 2 mmol) was added dropwise over a period of 10 min at 0 °C under nitrogen atmosphere. Stirring was maintained for a further 5 min and then n-butyllithium (1.60 m in hexane, 1.5 mL, 2.4 mmol) was added directly to the mixture (one-pot process). The reaction mixture was stirred for 0.5 h, while warming to room temperature, and was then quenched with 1 n HCl (5 mL). After evaporation of the THF, the concentrated mixture was poured into 1 n HCl (30 mL) and the aqueous phase was extracted with dichloromethane (3*20 mL). The combined organic extracts were dried over MgSO4, filtered, and concentrated to dryness in vacuo. The crude product was purified by column chromatography on silica gel (EtOAc/n-hexane, 1:4) to give 369.1 mg (96%) of p-methoxyvalerophenone.
Preparation
To a solution of N-methoxy-Nmethyl- 2-pyridyl urethane (364.4 mg, 2 mmol) in THF (6 mL), p-methoxyphenylmagnesium bromide (0.25 m in THF, 8 mL, 2 mmol) was added dropwise over a period of 10 min at 0 ℃ under nitrogen atmosphere. Stirring was maintained for a further 5 min and then n-butyllithium (1.60 M in hexane, 1.5 mL, 2.4 mmol) was added directly to the mixture (one-pot process). The reaction mixture was stirred for 0.5 h, while warming to room temperature, and was then quenched with 1 N HCl (5 mL). After evaporation of the THF, the concentrated mixture was poured into 1 N HCl (30 mL) and the aqueous phase was extracted with dichloromethane (3×20 mL). The combined organic extracts were dried over MgSO4, filtered, and concentrated to dryness in vacuo. The crude product was purified by column chromatography on silica gel (EtOAc/n-hexane, 1:4) to give 369.1 mg (96%) of p-methoxyvalerophenone.
Synthesis Reference(s)
Chemistry Letters, 15, p. 165, 1986
Tetrahedron, 50, p. 11839, 1994 DOI: 10.1016/S0040-4020(01)89299-1
Properties of 4'-METHOXYVALEROPHENONE
Melting point: | 22-23.5 °C |
Boiling point: | 300 °C(Press: 739 Torr) |
Density | 0.988±0.06 g/cm3(Predicted) |
CAS DataBase Reference | 1671-76-7(CAS DataBase Reference) |
Safety information for 4'-METHOXYVALEROPHENONE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4'-METHOXYVALEROPHENONE
New Products
Tubulysin C Tubulysin I Tubulysin H Tubulysin A (R)-tert-butyl (4-methyl-1-oxopentan-3-yl)carbamate Potassium HMDS (1.0 M in THF) 1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE 4-(Benzyloxy)-3-bromophenylacetic Acid 2,2-Difluoropropylamine hydrochloride 2H-Pyran, 4-ethynyltetrahydro- CYCLOBUTYLAMINE HYDROCHLORIDE (S)-3-Aminobutanenitrile hydrochloride 7-chloro-1- (2-methyl-4- nitrobenzoyl)-3,4- dihydro-1H-benzo[b] azepin-5(2H)-one 5-Piperazin-1-yl- benzofuran-2- carboxylic acid ethyl ester. HCl 3-(S)-(+)- (1-Cyano-1,1- diphenylmethyl)- 1-tosylpyrrolidine Magnesium Trisilicate Lubiprostone Latanoprostene Bunod 7-Methoxyquinoline-4-carbonitrile 1H-Imidazole-4-carbonitrile 7-Methoxyquinoline-4-carboxylic acid (R)-methyl 2-formamido-3-(tritylthio)propanoate Megestrol Acetate EP Impurity D FUSIDIC ACID EP IMPURITY I / FUSIDIC ACID BP IMPURITY I / FUS 16-EPI-DEACETYL FUSIDIC ACIDRelated products of tetrahydrofuran
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