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20628-06-2

20628-06-2 Structure

20628-06-2 Structure
IdentificationMore
[Name]

2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE
[CAS]

20628-06-2
[Synonyms]

1-(2-HYDROXY-4,5-DIMETHOXYPHENYL)ETHAN-1-ONE
2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE
4',5'-DIMETHOXY-2'-HYDROXYACETOPHENONE
4,5-DIMETHOXY-2-HYDROXYACETOPHENONE
AURORA KA-3659
[Molecular Formula]

C10H12O4
[MDL Number]

MFCD00017241
[Molecular Weight]

196.2
[MOL File]

20628-06-2.mol
Chemical PropertiesBack Directory
[Melting point ]

113-114°C
[Boiling point ]

332.3±37.0 °C(Predicted)
[density ]

1.172±0.06 g/cm3(Predicted)
[storage temp. ]

RT, stored under nitrogen
[form ]

powder
[pka]

10.29±0.23(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
[InChIKey]

KEQHBVWVKYHDCS-UHFFFAOYSA-N
[SMILES]

COc1cc(O)c(cc1OC)C(C)=O
[CAS DataBase Reference]

20628-06-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2914500090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone is a useful reagent in Vilsmeier-Haack reaction.
[Preparation]

Preparation by partial methylation of 2,5-dihydroxy-4-methoxyacetophenone, ? with methyl iodide in the presence of potassium carbonate in refluxing acetone (81%) ; ? with dimethyl sulfate in the presence of potassium carbonate in refluxing acetone (71%), in the presence of sodium methoxide in methanol (byproduct) or in the presence of sodium hydroxide in boiling aqueous ethanol (37%) ; ? with an excess of ethereal diazomethane in methanol (93%).
Spectrum DetailBack Directory
[Spectrum Detail]

2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE(20628-06-2)MS
2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE(20628-06-2)1HNMR
2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE(20628-06-2)13CNMR
2'-HYDROXY-4',5'-DIMETHOXYACETOPHENONE(20628-06-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

20628-06-2(sigmaaldrich)
[TCI AMERICA]

2'-Hydroxy-4',5'-dimethoxyacetophenone,>98.0%(GC)(20628-06-2)
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