2',4',6'-Trihydroxyacetophenone monohydrate supplier

Name
2',4',6'-Trihydroxyacetophenone monohydrate
EINECS 207-556-5
CAS No. 480-66-0
Article Data122
CAS DataBase
Density 1.446 g/cm³
Solubility Soluble in water.
Melting Point 219-221 °C(lit.)
Formula C₈H₈O₄
Boiling Point 333.2 °C at 760 mmHg
Molecular Weight 168.149
Flash Point 169.5 °C
Transport Information
Appearance light brown solid
Safety 26-36-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2',4',6'-trihydroxy- (7CI,8CI);Phloroacetophenone (6CI);1-(2,4,6-Trihydroxyphenyl)ethanone;2-Acetyl-1,3,5-trihydroxybenzene;2',4',6'-Trihydroxyacetophenone;Acetophloroglucine;Acetylphloroglucinol;NSC54927;Phloracetophene;Phloracetophenone;
PSA 77.76000
LogP 1.00600

Synthetic route

: 108-73-6
3,5-dihydroxyphenol

: 75-05-8
acetonitrile

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
Stage #1: 3,5-dihydroxyphenol; acetonitrile With hydrogenchloride; zinc(II) chloride In di-isopropyl ether at 0℃; Stage #2: With water for 2h; Reflux;	96.2%
Stage #1: 3,5-dihydroxyphenol; acetonitrile With hydrogenchloride; zinc(II) chloride In diethyl ether at -20℃; for 2h; Stage #2: With water for 2h; Reflux;	80%
With hydrogenchloride; zinc(II) chloride In diethyl ether for 6h; Cooling with ice;	80.7%

: 265975-36-8
1-(2,4,6-tris((tert-butyldimethylsilyl)oxy)phenyl)ethan-1-one

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In acetonitrile at 50℃; for 1h;	92%

: 108-73-6
3,5-dihydroxyphenol

: 123-86-4
acetic acid butyl ester

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With 4-chlorophenylethylamine; copper(I) bromide at 5℃; for 35h; Temperature; Reflux;	92%

: 108-73-6
3,5-dihydroxyphenol

: 108-24-7
acetic anhydride

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In ethyl acetate at 40℃; for 10h;	90%
With boron trifluoride diethyl etherate In ethyl acetate at 40℃; for 10h;	90%
With boron trifluoride diethyl etherate at 20℃; for 15h; Inert atmosphere;	88%

: 2-(1-iminoethyl)phenyl-1,3,5-triol hydrochloride

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With water Heating;	90%
With water for 3h; Reflux;	20%
With water for 3h; Reflux;	20%
With water for 1.5h; Heating;
In water for 2h; Reflux;

: 139140-13-9
1-{4-[(tert-butyldimethylsilyl)oxy]-2,6-dihydroxyphenyl}ethan-1-one

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With KF-Al2O3 (basic) In acetonitrile for 18h; Ambient temperature;	86%

: 144152-27-2
1-[2,4,6-tris(acetyloxy)phenyl]ethanone

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With water; sodium acetate In ethanol for 5h; Reflux;	86%

: 108-73-6
3,5-dihydroxyphenol

: 75-36-5
acetyl chloride

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With carbon disulfide; aluminum (III) chloride In nitrobenzene at 20 - 50℃; for 1h;	85.7%
Stage #1: 3,5-dihydroxyphenol With aluminum (III) chloride In dichloromethane; nitrobenzene at 0℃; Inert atmosphere; Stage #2: acetyl chloride In dichloromethane; nitrobenzene at 0 - 90℃; for 4h; Inert atmosphere;	85%
Stage #1: 3,5-dihydroxyphenol With aluminum (III) chloride In nitrobenzene; 1,2-dichloro-ethane at 0℃; for 0.166667h; Friedel-Crafts Acylation; Inert atmosphere; Stage #2: acetyl chloride In nitrobenzene; 1,2-dichloro-ethane for 5h; Friedel-Crafts Acylation; Inert atmosphere;	82.5%

: 108-73-6
3,5-dihydroxyphenol

: 64-19-7
acetic acid

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With zinc(II) chloride at 140 - 145℃; for 2h; Friedel Crafts acylation;	80%
With boron trifluoride

: 18065-05-9
1-[2,4-bis(benzyloxy)-6-hydroxyphenyl]ethanone

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With triethylammonium formate; palladium on activated charcoal for 2h; Ambient temperature;	75%

: 108-73-6
3,5-dihydroxyphenol

: 108-24-7
acetic anhydride

A: 2161-86-6
2,4-diacetylphloroglucinol

B: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With zinc(II) chloride at 145 - 150℃; for 0.25h;	A 25% B 50%

...Expand

: 108-73-6
3,5-dihydroxyphenol

: 1205-91-0
benzene-1,4-diyl diacetate

A: 480-66-0
2,4,6-trihydroxyacetophenone

B: 490-78-8
2,5-Dihydroxyacetophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 0.5h; cross Fries reaction; microwave irradiation;	A 35% B 40%

...Expand

: 123-54-6
acetylacetone

: 108-59-8
malonic acid dimethyl ester

A: 480-66-0
2,4,6-trihydroxyacetophenone

B: 3187-58-4
methyl orsellinate

Conditions

Conditions	Yield
With n-butyllithium; sodium hydride In tetrahydrofuran; hexane for 48h; Heating;	A 30% B 8%

...Expand

: 108-73-6
3,5-dihydroxyphenol

: 122-79-2
Phenyl acetate

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 3h; crossover Friess rearrangement; Heating;	30%

: 108-73-6
3,5-dihydroxyphenol

A: 2107-76-8
4-methyl-5,7-dihydroxycoumarin

B: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With aluminium trichloride; nitrobenzene; acetyl chloride Erhitzen des Reaktionsprodukts mit wss. Salzsaeure;

: 2161-86-6
2,4-diacetylphloroglucinol

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With sodium hydroxide at 25℃;
With sodium methylate In methanol

: 2161-87-7
1,3,5-triacetyl-2,4,6-trihydroxybenzene

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With sodium hydroxide at 25℃;
Multi-step reaction with 2 steps 1: diluted NaOH-solution 2: diluted NaOH-solution / 25 °C View Scheme

: 3-(3-ethoxycarbonyl-2,4,6-trihydroxy-phenyl)-3-oxo-propionic acid ethyl ester

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With water at 160 - 170℃;

: 2-(5,7-dihydroxy-4-methylene-4H-chromen-2-yl)-phloroglucinol

: furan-2,3,5(4H)-trione pyridine (1:1)

: 480-66-0
2,4,6-trihydroxyacetophenone

: 108-73-6
3,5-dihydroxyphenol

: 75-36-5
acetyl chloride

A: 2107-76-8
4-methyl-5,7-dihydroxycoumarin

B: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With aluminium trichloride; nitrobenzene Erhitzen des Reaktionsprodukts mit wss.HCl;

...Expand

: 23066-87-7
methyl 3,5,7-trioxooctanoate

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With potassium hydroxide

: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

A: 480-66-0
2,4,6-trihydroxyacetophenone

B: 3602-54-8
4,6-dihydroxy-2-methoxyacetophenone

Conditions

Conditions	Yield
With aluminium trichloride In chlorobenzene for 1h; Heating;	A 1.6 g B 2.0 g

: 108-73-6
3,5-dihydroxyphenol

: 64-19-7
acetic acid

A: 2161-86-6
2,4-diacetylphloroglucinol

B: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 100℃; for 2h;

...Expand

: 832-58-6
1-(2,4,6-trimethoxyphenyl)ethanone

A: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

B: 480-66-0
2,4,6-trihydroxyacetophenone

C: 7507-89-3
2,6-dihydroxy-4-methoxy-acetophenone

D: 3602-54-8
4,6-dihydroxy-2-methoxyacetophenone

Conditions

Conditions	Yield
With aluminium trichloride In chlorobenzene	A n/a B n/a C n/a D 29 % Chromat.

...Expand

: 832-58-6
1-(2,4,6-trimethoxyphenyl)ethanone

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With pyridine hydrochloride

: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With In methanol; water

: 7647-01-0
hydrogenchloride

: 108-73-6
3,5-dihydroxyphenol

: 60-29-7
diethyl ether

: 75-05-8
acetonitrile

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
nachfolgend Kochen des Reaktionsproduktes mit Wasser;

...Expand

: 108-73-6
3,5-dihydroxyphenol

: 108-58-7
Resorcinol diacetate

: 7664-93-9
sulfuric acid

A: 89-84-9
2',4'-dihydroxy-4-acetophenone

B: 2161-86-6
2,4-diacetylphloroglucinol

C: 480-66-0
2,4,6-trihydroxyacetophenone

...Expand

1-<2.4.6-trihydroxy-phenyl>-ethanone-(1)-imine sulfate: 1-<2.4.6-trihydroxy-phenyl>-ethanone-(1)-imine sulfate

: 480-66-0
2,4,6-trihydroxyacetophenone

Conditions

Conditions	Yield
With water

: 480-66-0
2,4,6-trihydroxyacetophenone

: 77-78-1
dimethyl sulfate

: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

Conditions

Conditions	Yield
With potassium carbonate In acetone Inert atmosphere;	100%
With potassium carbonate In acetone for 3h; Reflux;	100%
With potassium carbonate In acetone at 66℃; for 2h; Inert atmosphere;	100%

: 109-87-5
Dimethoxymethane

: 480-66-0
2,4,6-trihydroxyacetophenone

: 65490-09-7
2'-hydroxy-4',6'-bis(methoxymethoxy)acetophenone

Conditions

Conditions	Yield
Stage #1: Dimethoxymethane With acetyl chloride; zinc dibromide In dichloromethane at 20 - 30℃; for 3.5h; Stage #2: 2,4,6-trihydroxyacetophenone With N-ethyl-N,N-diisopropylamine In dichloromethane at 5 - 10℃;	100%
Stage #1: Dimethoxymethane With acetyl chloride; zinc dibromide at 20℃; for 2h; Inert atmosphere; Stage #2: 2,4,6-trihydroxyacetophenone With diisopropylamine In dichloromethane for 3h; Inert atmosphere; Cooling with ice; regioselective reaction;	50%
Stage #1: Dimethoxymethane With acetyl chloride; zinc dibromide In dichloromethane at 20℃; for 3.5h; Stage #2: 2,4,6-trihydroxyacetophenone With N-ethyl-N,N-diisopropylamine In dichloromethane at 5℃;

: 480-66-0
2,4,6-trihydroxyacetophenone

: 18162-48-6
tert-butyldimethylsilyl chloride

: 139140-13-9
1-{4-[(tert-butyldimethylsilyl)oxy]-2,6-dihydroxyphenyl}ethan-1-one

Conditions

Conditions	Yield
Stage #1: 2,4,6-trihydroxyacetophenone; tert-butyldimethylsilyl chloride With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; Stage #2: With pyridinium p-toluenesulfonate In methanol for 4h; Inert atmosphere; Reflux;	99%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 108-24-7
acetic anhydride

: 1162-81-8
3-Acetyl-5,7-bis(acetyloxy)-2-methyl-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sodium acetate for 9h; Heating;	98%
With sodium acetate
With sodium acetate for 10h; Heating;	11.8 g
With sodium acetate for 10h; Heating / reflux;
With sodium acetate for 10h; Heating / reflux;

: 3471-13-4
dimedone

: 480-66-0
2,4,6-trihydroxyacetophenone

: 78-84-2
isobutyraldehyde

: 1224866-14-1
2-(1-(3-acetyl-2,4,6-trihydroxy-5-(1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-2-methylpropyl)phenyl)-2-methylpropyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone

Conditions

Conditions	Yield
Stage #1: dimedone; isobutyraldehyde With piperidine In dichloromethane at 20℃; for 0.25h; Mannich reaction; Stage #2: With hydrogenchloride; ammonium chloride In water Stage #3: 2,4,6-trihydroxyacetophenone With sodium hydride In tetrahydrofuran at 20℃; for 3h; Friedel Crafts alkylation;	96%

...Expand

: 480-66-0
2,4,6-trihydroxyacetophenone

: 108-24-7
acetic anhydride

: 17820-33-6
acetic acid 5-acetoxy-2-acetyl-3-hydroxyphenyl ester

Conditions

Conditions	Yield
With pyridine; dmap at 60℃; for 3h;	95%
With pyridine; dmap at 60℃; for 3h;	95%
With pyridine for 5h; Ambient temperature;	38%
With pyridine

: 480-66-0
2,4,6-trihydroxyacetophenone

: 107-30-2
chloromethyl methyl ether

: 36804-11-2
2,4,6-tri-MOM phloracetophenone

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.75h;	95%
With sodium hydride In N,N-dimethyl-formamide at 85℃; for 4h; Temperature;	95%
Stage #1: 2,4,6-trihydroxyacetophenone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: chloromethyl methyl ether In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.75h; Inert atmosphere;	83%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 18162-48-6
tert-butyldimethylsilyl chloride

: 265975-36-8
1-(2,4,6-tris((tert-butyldimethylsilyl)oxy)phenyl)ethan-1-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; silylation;	95%
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 3h;	91%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 100-39-0
benzyl bromide

: 18065-05-9
1-[2,4-bis(benzyloxy)-6-hydroxyphenyl]ethanone

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	95%
With potassium carbonate In N,N-dimethyl-formamide	94%
With potassium carbonate In acetonitrile for 3h; Reflux;	91%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 108-73-6
3,5-dihydroxyphenol

Conditions

Conditions	Yield
With tin(IV) chloride In 1,2-dichloro-ethane Heating;	95%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 75-36-5
acetyl chloride

: 1022-78-2
3-acetyl-5,7-dihydroxy-2-methyl-chromen-4-one

Conditions

Conditions	Yield
Stage #1: 2,4,6-trihydroxyacetophenone With potassium carbonate In tetrahydrofuran at 20 - 50℃; for 1h; Stage #2: acetyl chloride In tetrahydrofuran for 4h; Heating / reflux; Stage #3: With hydrogenchloride In tetrahydrofuran; water	95%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In pyridine at 80 - 90℃; for 7h;	51%

: 13057-17-5
bromethyl methyl ether

: 480-66-0
2,4,6-trihydroxyacetophenone

: 36804-11-2
2,4,6-tri-MOM phloracetophenone

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 3h;	95%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

Conditions

Conditions	Yield
With potassium carbonate; dimethyl sulfate In acetone	94.4%
With dimethylsulfide; potassium carbonate In acetone at 20℃;

: 480-66-0
2,4,6-trihydroxyacetophenone

: 107-30-2
chloromethyl methyl ether

: 65490-09-7
2'-hydroxy-4',6'-bis(methoxymethoxy)acetophenone

Conditions

Conditions	Yield
Stage #1: 2,4,6-trihydroxyacetophenone With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; Inert atmosphere; Stage #2: chloromethyl methyl ether In dichloromethane at 0 - 20℃;	94%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 0.25h; Inert atmosphere;	94%
With potassium carbonate In acetone Reflux;	90%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 18162-48-6
tert-butyldimethylsilyl chloride

: 108956-90-7
1-(2,4-bis((tert-butyldimethylsilyl)oxy)-6-hydroxyphenyl)-2-ethan-1-one

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide for 0.5h;	94%
With 1H-imidazole In N,N-dimethyl-formamide for 2h;	92%
With triethylamine In dichloromethane at 20℃; for 1.5h; Inert atmosphere;	83%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 98-59-9
p-toluenesulfonyl chloride

: 68097-14-3
4-acetyl-5-hydroxy-1,3-phenylene bis(4-methylbenzenesulfonate)

Conditions

Conditions	Yield
With potassium carbonate In acetone Inert atmosphere; Reflux;	94%
With potassium carbonate In acetone for 5h; Reflux;

: 75-77-4
chloro-trimethyl-silane

: 480-66-0
2,4,6-trihydroxyacetophenone

: 2,4,6-tris(trimethylsilyloxy)acetophenone

Conditions

Conditions	Yield
With triethylamine In diethyl ether at 7℃; Heating;	93%

: 502-67-0
Farnesal

: 480-66-0
2,4,6-trihydroxyacetophenone

: C38H52O4

Conditions

Conditions	Yield
With ethylenediamine diacetic acid In dichloromethane at 20℃; for 10h;	93%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

: 1198596-15-4
1-(2-hydroxy-4,6-diisopropylsilyloxyphenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 2,4,6-trihydroxyacetophenone With triethylamine In dichloromethane; water at -78 - 20℃; Inert atmosphere; Stage #2: triisopropylsilyl trifluoromethanesulfonate In dichloromethane; water at -78℃; for 1h; Inert atmosphere;	93%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 108-24-7
acetic anhydride

: 2161-86-6
2,4-diacetylphloroglucinol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; acetic acid for 21h; Heating;	92%
With boron trifluoride diethyl etherate at 20℃; for 24h; Acetylation;	90%
Stage #1: 2,4,6-trihydroxyacetophenone; acetic anhydride With boron trifluoride diethyl etherate In acetic acid Marchand reaction; Reflux; Stage #2: With sodium hydroxide In methanol for 5h; Stage #3: With hydrogenchloride In methanol; water

: 480-66-0
2,4,6-trihydroxyacetophenone

: 609-65-4
o-chlorobenzoyl chloride

: 920006-70-8
2',4',6'-tris(2-chlorobenzoyloxy)acetophenone

Conditions

Conditions	Yield
With pyridine; dmap at 20℃; for 3h;	92%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 333-27-7
methyl trifluoromethanesulfonate

: 90-24-4
2-hydroxy-4,6-dimethoxyacetophenone

Conditions

Conditions	Yield
With potassium carbonate In acetone at 0 - 70℃; for 10h;	92%
With potassium carbonate In acetone for 3h; Reflux;	88%

: 75-30-9
2-iodo-propane

: 480-66-0
2,4,6-trihydroxyacetophenone

: 93344-48-0
1-(2-hydroxy-4,6-diisopropoxyphenyl)ethanone

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 10h; Inert atmosphere;	92%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 94632-41-4
ethyl phloroglucinol

Conditions

Conditions	Yield
With hydrogenchloride; sodium cyanoborohydride In methanol; water for 12h;	91%
With amalgamated zinc; ethanol; acetic acid weiteres Reagens: wss. HCl;
With hydrogenchloride; sodium cyanoborohydride In methanol for 24h;	100 % Spectr.
With dimethylamine borane In tetrahydrofuran for 24h; Heating;

: 480-66-0
2,4,6-trihydroxyacetophenone

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 62018-55-7
3'-formyl-2',4',6'-trihydroxyacetophenone

Conditions

Conditions	Yield
Stage #1: 2,4,6-trihydroxyacetophenone; N,N-dimethyl-formamide With trichlorophosphate In ethyl acetate at 20℃; for 1h; Vilsmeier-Haack Formylation; Stage #2: In water; ethyl acetate	91%
With trichlorophosphate at 20℃;	70%
With trichlorophosphate In ethyl acetate at 20℃; for 1h; Vilsmeier-Haack Formylation; Cooling with ice;	64.7%
With trichlorophosphate In ethyl acetate at 20℃; for 0.5h; Vilsmeier-Haack formylation;

: 13057-17-5
bromethyl methyl ether

: 480-66-0
2,4,6-trihydroxyacetophenone

: 65490-09-7
2'-hydroxy-4',6'-bis(methoxymethoxy)acetophenone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;	91%
Stage #1: bromethyl methyl ether; 2,4,6-trihydroxyacetophenone With N-ethyl-N,N-diisopropylamine In dichloromethane for 0.333333h; Cooling with ice; Stage #2: bromethyl methyl ether In dichloromethane for 12.3h;	75.5%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 3℃; for 3h; Inert atmosphere;	74.5%
With potassium carbonate In acetone for 3h; Heating;	68%
With potassium carbonate In acetone for 3h; Reflux;	68%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 79-30-1
isobutyryl chloride

: 1-(3-acetyl-2,4,6-trihydroxyphenyl)-2-methylpropan-1-one

Conditions

Conditions	Yield
With silica sulphuric acid In neat (no solvent) at 60℃; Friedel-Crafts Acylation; Green chemistry;	91%
With methanesulfonic acid; acetic acid In neat (no solvent) at 80℃; for 0.25h; Temperature; Friedel-Crafts Acylation; Inert atmosphere;

2',4',6'-Trihydroxyacetophenone monohydrate Chemical Properties

Molecule structure of 2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0):

IUPAC Name: 1-(2,4,6-Trihydroxyphenyl)ethanone
Molecular Weight: 168.14672 g/mol
Molecular Formula: C₈H₈O₄
Density: 1.446 g/cm³
Melting Point: 219-221 °C(lit.)
Boiling Point: 333.2 °C at 760 mmHg
Flash Point: 169.5 °C
Index of Refraction: 1.64
Molar Refractivity: 41.92 cm³
Molar Volume: 116.2 cm³
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 59.89 kJ/mol
Vapour Pressure: 7.16E-05 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 25
Exact Mass: 168.042259
MonoIsotopic Mass: 168.042259
Topological Polar Surface Area: 77.8
Heavy Atom Count: 12
Canonical SMILES: CC(=O)C1=C(C=C(C=C1O)O)O
InChI: InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
InChIKey: XLEYFDVVXLMULC-UHFFFAOYSA-N
EINECS: 207-556-5
Product Categories: Alcohols and Derivatives; Carbonyl Compounds; Aromatic Acetophenones & Derivatives (substituted); Analytical Chemistry;Mass Spectrometry; Matrix Materials (MALDI-TOF-MS); Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals

2',4',6'-Trihydroxyacetophenone monohydrate Uses

2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0) is a matrix that is used in matrix-assisted laser desorption/ionization (MALDI) for the analysis of acidic glycans and glycopeptides in negative ion mode.

2',4',6'-Trihydroxyacetophenone monohydrate Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: AN0528000
Hazard Note: Irritant
HS Code: 29145000

2',4',6'-Trihydroxyacetophenone monohydrate Specification

2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0) is also named as 1-(2,4,6-Trihydroxyphenyl)ethanone ; Acetophloroglucine ; Acetylphloroglucinol ; NSC 54927 ; PHLOROACETOPHENONE ; Acetophenone, 2',4',6'-trihydroxy- (8CI) ; Ethanone, 1-(2,4,6-trihydroxyphenyl)- . 2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0) is light yellow crystal.

Product Name

2',4',6'-Trihydroxyacetophenone monohydrate

Synthetic route

2',4',6'-Trihydroxyacetophenone monohydrate Chemical Properties

2',4',6'-Trihydroxyacetophenone monohydrate Uses

2',4',6'-Trihydroxyacetophenone monohydrate Safety Profile

2',4',6'-Trihydroxyacetophenone monohydrate Specification

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