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705-15-7

Basic Information
CAS No.: 705-15-7
Name: 2'-Hydroxy-5'-methoxyacetophenone
Article Data: 52
Molecular Structure:
Molecular Structure of 705-15-7 (2'-Hydroxy-5'-methoxyacetophenone)
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: IrritantXi
Risk Codes: 41-36/37/38
Safety: 26-36/37/39-22
PSA: 46.53000
LogP: 1.60340
Synthetic route
1201-38-3

2',5'-dimethoxyacetophenone

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
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;
115-10-6

Dimethyl ether

1205-91-0

benzene-1,4-diyl diacetate

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
With boron trifluoride for 1h; Fries rearrangement; Heating;90%
1200-06-2

4-methoxyphenyl acetate

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
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%
150-76-5

4-methoxy-phenol

75-36-5

acetyl chloride

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
With 1-carboxymethyl-3-methylimidazolium tetrachloroferrate In neat (no solvent) at 100℃; for 1.5h; Friedel-Crafts Acylation; Green chemistry; regioselective reaction;87%
490-78-8

2,5-Dihydroxyacetophenone

74-88-4

methyl iodide

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
In acetone83%
With potassium carbonate In acetone for 6h; Heating;64%
With potassium carbonate; acetone
75-77-4

chloro-trimethyl-silane

85630-32-6

N,N-diethyl-2-hydroxy-5-methoxybenzamide

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere;81%
64-19-7

acetic acid

150-78-7

1,4-dimethoxybezene

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
With boron trifluoride
64-19-7

acetic acid

150-78-7

1,4-dimethoxybezene

A

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

B

1201-38-3

2',5'-dimethoxyacetophenone

Conditions
ConditionsYield
With boron trifluoride
75-36-5

acetyl chloride

150-78-7

1,4-dimethoxybezene

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Conditions
ConditionsYield
With aluminium trichloride; diethyl ether
With carbon disulfide; aluminium trichloride Erwaermen des Reaktionsprodukts mit AlCl3 in Aether;
With aluminium trichloride In dichloromethane
7446-70-0

aluminium trichloride

60-29-7

diethyl ether

75-36-5

acetyl chloride

150-78-7

1,4-dimethoxybezene

A

705-15-7

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

B

1201-38-3

2',5'-dimethoxyacetophenone

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    Product Name: 2'-Hydroxy-5'-methoxyacetophenone CAS No.: 705-15-7 Molecular formula: C9H10O3 Molecular weight: 166 Appearance: Light yellow or light yellow-green crystals or powder

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    CAS Number: 705-15-7 Molecular formula: C9H10O3 Molecular Weight: 166.17 EINECS number: 211-882-3 Related Categories: Aromatic Acetophenones & Derivatives (substituted);C9;Carbonyl Compounds;Ketones;B

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Specification

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