Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane at -5 - 25℃; | 95% |
With aluminium(III) iodide; N,N-dimethyl-formamide dimethyl acetal In acetonitrile at 80℃; for 18h; | 85% |
With aluminium(III) iodide; N,N-dimethyl-formamide dimethyl acetal In acetonitrile at 80℃; for 18h; | 85% |
With aluminium trichloride In acetonitrile for 6h; Thermodynamic data; Heating; ΔG(excit.), ΔH(excit.), ΔS(excit.); conversion vs. reaction time; |
Dimethyl ether
benzene-1,4-diyl diacetate
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
With boron trifluoride for 1h; Fries rearrangement; Heating; | 90% |
Conditions | Yield |
---|---|
With potassium carbonate In hexane at 25℃; for 12h; Irradiation; | 89% |
With aluminum (III) chloride at 150℃; for 3.5h; | 75% |
for 0.116667h; Rearrangement; microwave irradiation; | 62% |
Conditions | Yield |
---|---|
With 1-carboxymethyl-3-methylimidazolium tetrachloroferrate In neat (no solvent) at 100℃; for 1.5h; Friedel-Crafts Acylation; Green chemistry; regioselective reaction; | 87% |
2,5-Dihydroxyacetophenone
methyl iodide
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
In acetone | 83% |
With potassium carbonate In acetone for 6h; Heating; | 64% |
With potassium carbonate; acetone |
chloro-trimethyl-silane
N,N-diethyl-2-hydroxy-5-methoxybenzamide
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere; | 81% |
Conditions | Yield |
---|---|
With boron trifluoride |
acetic acid
1,4-dimethoxybezene
A
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
B
2',5'-dimethoxyacetophenone
Conditions | Yield |
---|---|
With boron trifluoride |
acetyl chloride
1,4-dimethoxybezene
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
With aluminium trichloride; diethyl ether | |
With carbon disulfide; aluminium trichloride Erwaermen des Reaktionsprodukts mit AlCl3 in Aether; | |
With aluminium trichloride In dichloromethane |
aluminium trichloride
diethyl ether
acetyl chloride
1,4-dimethoxybezene
A
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
B
2',5'-dimethoxyacetophenone
acetyl chloride
1,4-dimethoxybezene
A
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
With carbon disulfide; aluminium trichloride |
Conditions | Yield |
---|---|
With sodium hydroxide |
aluminium trichloride
4-methoxyphenyl acetate
A
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
B
2,5-Dihydroxyacetophenone
Conditions | Yield |
---|---|
at 65℃; |
acetic anhydride
hydroquinone
dimethyl sulfate
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
Stage #1: acetic anhydride; hydroquinone With sulfuric acid Stage #2: With aluminium trichloride at 160℃; Stage #3: dimethyl sulfate With potassium carbonate |
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 60℃; for 24h; |
1-(3-Methoxyphenyl)ethanone
A
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
B
acetic acid 3-methoxyphenyl ester
C
1-(2-hydroxy-3-methoxyphenyl)ethanone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid In acetonitrile at 80℃; for 2h; Baeyer-Villiger oxidation; | A 2 % Chromat. B 9 % Chromat. C 4 % Chromat. |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: ZnCl2 2: aq. NaOH solution View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / 3.5 h / 100 °C 2: aluminum (III) chloride / 3.5 h / 150 °C View Scheme | |
Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 12 h / 20 °C / Inert atmosphere; Reflux 2: lithium diisopropyl amide / tetrahydrofuran / -78 - 20 °C / Inert atmosphere 3: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / 0 - 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: sulfuric acid 2: aluminum (III) chloride / 120 - 130 °C View Scheme | |
Multi-step reaction with 2 steps 1: 90 °C 2: aluminum (III) chloride / 5 h / 120 °C View Scheme |
N,N-diethyl-O-(4-methoxyphenyl)carbamate
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: lithium diisopropyl amide / tetrahydrofuran / -78 - 20 °C / Inert atmosphere 2: lithium diisopropyl amide / tetrahydrofuran / 0.5 h / 0 - 20 °C / Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
With methyl iodide In acetone at 20℃; for 12h; |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
methylmagnesium bromide
2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-phenol
Conditions | Yield |
---|---|
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one; methylmagnesium bromide In tetrahydrofuran at 0 - 20℃; for 16.5h; Stage #2: With ammonium chloride In tetrahydrofuran; water | 100% |
In tetrahydrofuran at 0 - 20℃; for 16.5h; | 100% |
In tetrahydrofuran at 0 - 20℃; for 16.5h; | 100% |
In tetrahydrofuran at 0 - 20℃; for 16.5h; | 100% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
2-(1-iminoethyl)-4-methoxyphenol
Conditions | Yield |
---|---|
With ammonia In methanol at 20℃; Cooling with ice; | 100% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 20℃; Aldol Condensation; | 100% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
acetic anhydride
2'-acetoxy-5'-methoxyacetophenone
Conditions | Yield |
---|---|
In pyridine for 0.5h; Heating; | 99% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
benzyl bromide
2'-benzyloxy-5'-methoxyacetophenone
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 72h; Heating; | 99% |
Conditions | Yield |
---|---|
With lithium perchlorate; acetic acid In nitromethane Cycloaddition; Electrochemical reaction; | 99% |
With lithium perchlorate; acetic acid In nitromethane; cyclohexane at 25 - 60℃; Electrochemical reaction; | 93% |
With lithium perchlorate; acetic acid In nitromethane Electrolysis; | 90 %Spectr. |
With acetic acid In nitromethane at 20℃; Reagent/catalyst; Electrolysis; |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
oxalic acid diethyl ester
ethyl 6-methoxy-4-oxo-4H-chromene-2-carboxylate
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol for 1h; Heating; | 98% |
With sodium ethanolate In ethanol for 1h; Heating / reflux; | 98% |
With ethanol; sodium ethanolate Behandeln des Reaktionsgemisches mit wss.-aethanol. Salzsaeure; |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
(E)-2-hydroxy-5-methoxyacetophenone oxime
Conditions | Yield |
---|---|
With pyridine; hydroxylamine hydrochloride In ethanol at 20℃; | 98% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
1-(3-bromo-2-hydroxy-5-methoxyphenyl)ethan-1-one
Conditions | Yield |
---|---|
With bromine; sodium acetate; acetic acid | 97% |
With bromine; sodium acetate; acetic acid at 20℃; for 48h; | 87% |
With bromine; sodium acetate In acetic acid at 15 - 25℃; for 16h; | 210 g |
Conditions | Yield |
---|---|
In methanol; water at 90℃; for 0.333333h; | 97% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
3-chloro-1-benzofuran-2-carbaldehyde
(E)-3-(3-Chloro-benzofuran-2-yl)-1-(2-hydroxy-5-methoxy-phenyl)-propenone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water Ambient temperature; | 96% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
methanesulfonyl chloride
2-acetyl-4-methoxyphenyl methanesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 4h; | 96% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
acetone
6-methoxy-2,2-dimethylchroman-4-one
Conditions | Yield |
---|---|
Stage #1: acetone With pyrrolidine; butyric acid In dimethyl sulfoxide for 0.25h; Kabe Chromanone Synthesis; Stage #2: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one In dimethyl sulfoxide at 20℃; for 1.5h; Kabe Chromanone Synthesis; | 95% |
With Amberlite IRA 400 basic resin for 0.0833333h; Microwave irradiation; Neat (no solvent); | 91% |
With pyrrolidine In ethanol for 12h; Inert atmosphere; Reflux; | 84.6% |
With pyrrolidine In toluene Ambient temperature; a) RT, 3 h, b) reflux, 18 h; | 53% |
With pyrrolidine In ethanol at 75℃; for 4h; Inert atmosphere; Schlenk technique; |
chloro-trimethyl-silane
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
1-<2'-<(trimethylsilyl)oxy>-5'-methoxyphenyl>-1-<(trimethylsilyl)oxy>ethylene
Conditions | Yield |
---|---|
With triethylamine; sodium iodide In acetonitrile for 2h; Ambient temperature; | 95% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
trifluoromethylsulfonic anhydride
2-acetyl-4-methoxylphenyl triflate
Conditions | Yield |
---|---|
With pyridine at 0 - 20℃; for 12h; | 95% |
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
oxalyl dichloride
N,N-dimethyl-formamide
6-methoxy-4-oxo-4H-chromene-3-carbaldehyde
Conditions | Yield |
---|---|
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one; N,N-dimethyl-formamide In tetrahydrofuran at 0℃; Inert atmosphere; Stage #2: oxalyl dichloride In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere; | 95% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
trimethylsilyl cyanide
ethylamine
Conditions | Yield |
---|---|
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one; ethylamine With zinc(II) oxide In neat (no solvent) at 20℃; for 0.166667h; Green chemistry; Stage #2: trimethylsilyl cyanide In neat (no solvent) at 20℃; Green chemistry; | 95% |
isoquinoline
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
4-(bromoacetyl)toluene
Conditions | Yield |
---|---|
Stage #1: isoquinoline; 4-(bromoacetyl)toluene In water at 80℃; for 0.5h; Green chemistry; Stage #2: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one With carbonic acid dimethyl ester In water at 80℃; for 3h; Green chemistry; | 95% |
isoquinoline
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
2-Bromo-4'-methoxyacetophenone
Conditions | Yield |
---|---|
Stage #1: isoquinoline; 2-Bromo-4'-methoxyacetophenone In water at 80℃; for 0.5h; Green chemistry; Stage #2: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one With carbonic acid dimethyl ester In water at 80℃; for 3h; Green chemistry; | 95% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
4-methoxy-benzaldehyde
4-Methoxyphenyl isothiocyanate
carbonic acid dimethyl ester
malononitrile
Conditions | Yield |
---|---|
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one; carbonic acid dimethyl ester With magnetic Fe3O4 nanoparticles and ZnO nanoparticles on multiwalled carbon nanotubes at 20℃; for 0.333333h; Stage #2: 4-methoxy-benzaldehyde; malononitrile With magnetic Fe3O4 nanoparticles and ZnO nanoparticles on multiwalled carbon nanotubes at 20℃; for 1h; Stage #3: 4-Methoxyphenyl isothiocyanate at 20℃; for 2h; | 95% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
4-fluorobenzoyl chloride
1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
Conditions | Yield |
---|---|
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one With lithium hexamethyldisilazane In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; Stage #2: 4-fluorobenzoyl chloride In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; | 94.9% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
Diethyl carbonate
4-hydroxy-6-methoxycoumarin
Conditions | Yield |
---|---|
With sodium hydride In mineral oil at 0 - 100℃; | 94% |
With sodium hydride In toluene at 0℃; for 4.5h; Reflux; | 90% |
Stage #1: 1-(2-hydroxy-5-methoxyphenyl)ethan-1-one With sodium hydride In toluene for 0.25h; Inert atmosphere; Cooling with ice; Stage #2: Diethyl carbonate In toluene at 20℃; for 5.5h; Inert atmosphere; Reflux; | 82% |
Conditions | Yield |
---|---|
94% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
N,N-Dimethylthiocarbamoyl chloride
O-2-acetyl-4-methoxyphenyl N,N-dimethylcarbamothioate
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In N,N-dimethyl-formamide at 50℃; for 5h; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
With N,N-dimethyl-aniline; 1,1'-carbonyldiimidazole In acetonitrile at 20℃; for 12h; Inert atmosphere; | 93% |
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one
ethyl bromoacetate
ethyl 2-(2-acetyl-4-methoxyphenoxy)acetate
Conditions | Yield |
---|---|
With potassium carbonate In acetone | 92% |
With potassium carbonate In butanone for 10h; Heating / reflux; | 40% |
With potassium carbonate; acetone |
The Ethanone,1-(2-hydroxy-5-methoxyphenyl)-, with CAS registry number 705-15-7, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C9; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2-hydroxy-5-methoxyphenyl)ethanone. This chemical is a kind of yellow crystalline powder. And it should be stored in cool, dry place.
Physical properties of Ethanone,1-(2-hydroxy-5-methoxyphenyl)-: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.34; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.26; (8)ACD/KOC (pH 7.4): 311.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.84 cm3; (15)Molar Volume: 143.3 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 53.08 kJ/mol; (19)Vapour Pressure: 0.00374 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-acetoxy-4-methoxy-benzene. This reaction will need reagent AlCl3.
Uses of Ethanone,1-(2-hydroxy-5-methoxyphenyl)-: it can be used to produce 1-(2-hydroxy-5-methoxy-3-nitro-phenyl)-ethanone. This reaction will need reagents acetic acid, acetic acid anhydride and HNO3.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical has risk of serious damage to the eyes. When use it, do not breathe dust and wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OC)ccc1O)C
(2)InChI: InChI=1/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3
(3)InChIKey: MLIBGOFSXXWRIY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3
(5)Std. InChIKey: MLIBGOFSXXWRIY-UHFFFAOYSA-N
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