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CAS No.: | 705-15-7 |
---|---|
Name: | 2'-Hydroxy-5'-methoxyacetophenone |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Acetophenone,2'-hydroxy-5'-methoxy- (7CI,8CI);1-(2-hydroxy-5-methoxyphenyl)ethanone;2-Acetyl-4-methoxyphenol;2-Hydroxy-5-Methyloxyacetophenone;2-Hydroxy-5-methoxyacetophenone;2'-Hydroxy-5'-methoxyacetophenone;5-Methoxy-2-hydroxyacetophenone;NSC 338218; |
EINECS: | 211-882-3 |
Density: | 1.158 g/cm3 |
Melting Point: | 52 °C(lit.) |
Boiling Point: | 272 °C at 760 mmHg |
Flash Point: | 107.6 °C |
Appearance: | yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 41-36/37/38 |
Safety: | 26-36/37/39-22 |
PSA: | 46.53000 |
LogP: | 1.60340 |
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 |
Conditions | Yield |
---|---|
With aluminium trichloride; diethyl ether | |
With carbon disulfide; aluminium trichloride Erwaermen des Reaktionsprodukts mit AlCl3 in Aether; | |
With aluminium trichloride In dichloromethane |
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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