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703-23-1

703-23-1 Structure

703-23-1 Structure
IdentificationMore
[Name]

2'-HYDROXY-6'-METHOXYACETOPHENONE
[CAS]

703-23-1
[Synonyms]

1-(2-HYDROXY-6-METHOXYPHENYL)ETHAN-1-ONE
1-(2-HYDROXY-6-METHOXYPHENYL)ETHANONE
2'-HYDROXY-6'-METHOXYACETOPHENONE
2-HYDROXY-6-METHOXYACETOPHENONE
6'-Hydroxy-2'-methoxyacetophenone
Acetophenone, 2'-hydroxy-6'-methoxy-
2-Acetyl-3-methoxyphenol
[EINECS(EC#)]

211-872-9
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00008732
[Molecular Weight]

166.17
[MOL File]

703-23-1.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow crystalline powder
[Melting point ]

58-60 °C(lit.)
[Boiling point ]

141 °C16 mm Hg(lit.)
[density ]

1.158
[refractive index ]

1.5500 (estimate)
[Fp ]

141°C/16mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

9.79±0.10(Predicted)
[color ]

Light yellow to yellow
[BRN ]

1869049
[InChI]

1S/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3
[InChIKey]

UENLHUMCIOWYQN-UHFFFAOYSA-N
[SMILES]

COc1cccc(O)c1C(C)=O
[LogP]

2.390 (est)
[CAS DataBase Reference]

703-23-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

N
[HS Code ]

29145090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder
[Uses]

2′-Hydroxy-6′-methoxyacetophenone was used as starting material in the synthesis of 5-methoxyflavaone. It was also used in synthesis of 5,6-dihydroxyflavone.
[Uses]

2''-Hydroxy-6''-methoxyacetophenone is useful in the synthesis of an aminopyrazole compound which is used to treat cancer and inhibits Chk1. 2''-Hydroxy-6''-methoxyacetophenone is also used to prepare 5,?4''-?disubstituted flavones, predicted androgen receptor antagonists and naphthopyrazolyl carbothioamides which are anticancer agents.
[Definition]

ChEBI: 2'-Hydroxy-6'-methoxyacetophenone is an aromatic ketone.
[Preparation]

Preparation by reaction of methyl iodide on 2,6-dihydroxyacetophenone with potassium carbonate in boiling acetone (56%).
[General Description]

An organometallic synthetic route to 2′-hydroxy-6′-methoxyacetophenone was reported.
[Synthesis]

N,N-Dimethylacetamide

127-19-5

3-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE,95.0+%(GC)

217813-03-1

3-Dimethylaminoanisole

15799-79-8

2'-HYDROXY-6'-METHOXYACETOPHENONE

703-23-1

Ethanone, 1-[2-(dimethylamino)-6-methoxyphenyl]-

1220955-97-4

Under argon protection, TBAF (157 mg, 0.60 mmol) was dissolved in DMA (1.2 mL), followed by addition of a solution of 3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (53 μL, 0.20 mmol) in DMA (0.8 mL). The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction was quenched by the addition of water (0.1 mL). The reaction mixture was concentrated under reduced pressure and the residue was purified by fast silica gel column chromatography (eluent: ethyl acetate/hexane = 1/20 to 1/8 containing 2% dichloromethane) to afford 2-hydroxy-6-methoxyacetophenone (10, 11.3 mg, 34%), 2-(N,N-dimethyl)amino-6-methoxyacetophenone (11, 3.8 mg, 10%) and 3-methoxy- N,N-dimethylaniline (12, 1.3 mg, 5%). 2-Hydroxy-6-methoxyacetophenone (10): colorless crystals, melting point 57-57.5 °C (ethyl acetate/hexane). IR (KBr) νmax 3110, 3009, 2947, 1623, 1594, 1459 cm?1.1 1H NMR (CDCl3) δ 13.23 (1H, s), 7.33 (1H, t, J = 8.0 Hz ), 6.56 (1H, dd, J = 8.0, 1.0 Hz), 6.39 (1H, dd, J = 8.0, 1.0 Hz), 3.90 (3H, s), 2.67 (3H, s).13C NMR (CDCl3) δ 205.1, 164.6, 161.5, 136.0, 111.3, 110.7, 101.1, 55.6, 33.7.MS (EI+) m/z 83 (100), 166 (M+, 3).HRMS (EI+) calculated value of C9H10O3 (M+) 166.0624, measured value 166.0646. 2-(N,N-dimethyl)amino-6-methoxyacetophenone (11): colorless oil. ir (CHCl3) νmax 2942, 1702, 1577, 1468 cm?1. 1H NMR (CDCl3) δ 7.23 (1H, br t, J = 8.0 Hz), 6.67 (1H, br d, J = 8.0 Hz), 6.56 ( 1H, br d, J = 8.0 Hz), 3.78 (3H, s), 2.72 (6H, s), 2.50 (3H, s).13C NMR (CDCl3) δ 205.2, 156.2, 151.8, 130.2, 125.3, 111.0, 104.7, 55.8, 44.8, 31.8.MS (EI+) m/z 83 (100), 193 (M+, 0.4). HRMS (EI+) calculated value C11H15NO2 (M+) 193.1097, measured value 193.1121. 3-Methoxy-N,N-dimethylaniline (12): colorless oily substance. ir (KBr) νmax 2955, 1610, 1493, 1465 cm?1. 1H NMR (CDCl3) δ 7.15 (1H, t, J = 8.0 Hz), 6.36 (1H, dd, J = 8.0, 2.5 Hz), 6.31-6.27 (2H, m), 3.80 (3H, s), 2.94 (6H, s).13C NMR (CDCl3) δ 160.6, 151.9, 129.7, 105.7, 101.3, 99.1, 55.1, 40.6.MS (EI+) m/z 83 (100), 151 (M+, 0.4).HRMS (EI+) calculated values C9H14NO (M++H+) 152.1070, measured value 152.1055.

[References]

[1] Tetrahedron, 2012, vol. 68, # 1, p. 179 - 189
[2] Tetrahedron, 2012, vol. 68, # 1, p. 179 - 189
Spectrum DetailBack Directory
[Spectrum Detail]

2'-HYDROXY-6'-METHOXYACETOPHENONE(703-23-1)1HNMR
2'-HYDROXY-6'-METHOXYACETOPHENONE(703-23-1)Raman
2'-HYDROXY-6'-METHOXYACETOPHENONE(703-23-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2'-Hydroxy-6'-methoxyacetophenone, 97%(703-23-1)
[Alfa Aesar]

2'-Hydroxy-6'-methoxyacetophenone, 97%(703-23-1)
[Sigma Aldrich]

703-23-1(sigmaaldrich)
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