1,3,5-Trimethoxybenzene supplier

Name
1,3,5-Trimethoxybenzene
EINECS 210-673-4
CAS No. 621-23-8
Article Data114
CAS DataBase
Density 1.041 g/cm³
Solubility insoluble in water
Melting Point 50-53 °C(lit.)
Formula C₉H₁₂O₃
Boiling Point 257 °C at 760 mmHg
Molecular Weight 168.192
Flash Point 85.6 °C
Transport Information UN 1325
Appearance white to cream crystalline powder
Safety 24/25-36
Risk Codes 22-20/21/22
Molecular Structure
Hazard Symbols Xn; F
Synonyms 4-06-00-07362 (Beilstein Handbook Reference);Phloroglucinol trimethyl ether;Benzene, 1,3,5-trimethoxy-;1,3,5-Trimethoxybenzene (JAN);O,O,O-1,3,5-Trimethylresorcinol;
PSA 27.69000
LogP 1.71240

Synthetic route

: 7051-16-3
1-chloro-3,5-dimethoxybenzene

: C4H12BO4(1+)*K(1+)

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In N,N-dimethyl-formamide at 100℃; Inert atmosphere;	100%

: 67-56-1
methanol

: 626-39-1
1,3,5-trisbromobenzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
Stage #1: methanol; 1,3,5-trisbromobenzene In toluene at 135℃; under 5320.36 Torr; for 0.75h; Stage #2: With triethylamine In toluene at 165℃; under 8360.56 Torr; for 11h; Temperature;	99.5%
With sodium methylate; copper(l) chloride In N,N-dimethyl-formamide at 100 - 110℃; for 6h;	90%

: 108-73-6
3,5-dihydroxyphenol

: 74-88-4
methyl iodide

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 3h; Reflux;	99%
With potassium carbonate In acetone for 6h; Reflux;	80%
With methanol man troepfelt methylalkoholische Natriummethylatloesung hinzu;

: 570-02-5
2,4,6-trimethoxybenzoic acid

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; trifluoroacetic acid In dimethyl sulfoxide; N,N-dimethyl-formamide at 70℃; for 24h;	99%
With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide In toluene at 120℃; for 18h; Inert atmosphere;	85%
With sodium persulfate; ethanol at 60℃; for 18h; Temperature; Time; Sealed tube; Green chemistry;	85%
With C40H42NO7PPdS In dichloromethane at 20℃; Schlenk technique;

A

B 2-(4'-(trifluoromethoxy)phenyl)-7-(trifluoromethoxy)naphthalene: 2-(4'-(trifluoromethoxy)phenyl)-7-(trifluoromethoxy)naphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 99%

: 35564-11-5
1,3,5-trimethoxybenzene-2,4,6-d3

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate; water In chloroform at 80℃; for 24h; Sealed tube;	98%
With acetic acid In hexane at 24.9℃; Kinetics; Thermodynamic data; Rate constant; other solvents; ΔH(activ.); -ΔS(activ.); ΔF(activ.).;

: 626-39-1
1,3,5-trisbromobenzene

: 124-41-4
sodium methylate

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With methanol; Methyl formate; copper(l) chloride at 115℃; for 2h; Autoclave; Green chemistry;	98%
With copper(I) chloride In N,N-dimethyl-formamide at 130℃; for 6h;	91%

: 1-(4'-fluorostyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 2-(4'-fluorophenyl)-7-fluoronaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 98%

: (E)-1-(4'-iodostyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 2-(4'-iodophenyl)-7-iodonaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 97%

: 36086-05-2
2-trimethylsilyl-1,3,5-trimethoxybenzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With chloro-trimethyl-silane; water; potassium iodide In acetonitrile at 20℃; for 0.1h;	96%

: 1,3,5-trimethoxy-2-(4-methyl-pent-1-enyl)benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	96%

: 500-99-2
3,5-dimethoxyphenol

: 616-38-6
carbonic acid dimethyl ester

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With N,N'-dimethylimidazolium-2-carboxylate In acetonitrile at 160℃; for 1.33333h; Microwave irradiation; Green chemistry;	96%

: 626-39-1
1,3,5-trisbromobenzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With sodium; copper(I) iodide In N-methyl-acetamide; methanol	95%

: 861389-87-9
1,3,5-trimethoxy-2-(buta-1,3-dienyl)benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	95%

: 67827-53-6
ethyl 3-(2,4,6-trimethoxy phenyl)acrylate

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	95%

: 830-79-5
2,4,6-trimethoxybenzaldehyde

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane In diethylene glycol dimethyl ether for 40h; Heating;	94%
With hydrogen In cyclohexane at 165℃; under 15001.5 - 26252.6 Torr; for 4h; Solvent; Autoclave;	90.9%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; air; triphenylphosphine In 1,4-dioxane for 48h; Heating;	78%
With methanol; scandium tris(trifluoromethanesulfonate) Mechanism; other aromatic aldehydes;

: 1,3,5-trimethoxy-2-(pent-1-enyl)benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	94%

: 1-styryl-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 612-94-2
2-phenylnaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Solvent; Temperature; Time; Diels-Alder Cycloaddition;	A n/a B 94%

: (E)-1-(2'-methylstyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 2-(o-tolyl)-5-methylnaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 93%

: 108-73-6
3,5-dihydroxyphenol

: 77-78-1
dimethyl sulfate

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone	92%
With potassium carbonate In acetone for 48h; Reflux;	92%
With potassium carbonate In acetone for 0.0666667h; Heating; Microwave irradiation;	91%

: 40243-91-2
1,3,5-trimethoxy 2-vinyl benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	92%

: 1-(4'-methylstyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 132725-78-1
7-methyl-2-(4-methylphenyl)naphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 92%

: 2-(2',4',6'-trimethoxystyryl)naphthalene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 3-(naphthalen-2'-yl)phenanthrene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 92%

: (E)-1-(4'-bromostyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 38251-86-4
2-(4'-bromophenyl)-7-bromonaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 92%

: 1,3,5-trimethoxy-2-(methylsulfinyl)benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With Octanethiol; trifluorormethanesulfonic acid In dichloromethane at 23℃; for 12h;	91%

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

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With tin(IV) chloride In 1,2-dichloro-ethane Heating;	90%

1,3,5-trimethoxy-2-(hex-1-enyl)benzene: 1,3,5-trimethoxy-2-(hex-1-enyl)benzene

: 621-23-8
1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With trifluoroacetic acid at 120℃;	90%

A 1,2,3-trimethoxybenzene: 1,2,3-trimethoxybenzene

B: 2-(4'-(trifluoromethyl)phenyl)-7-(trifluoromethyl)naphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 90%

: 1-(2'-chlorostyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 2-(2'-chlorophenyl)-5-chloronaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 90%

: 1-(3',4'-difluorostyryl)-2,4,6-trimethoxybenzene

A: 621-23-8
1,2,3-trimethoxybenzene

B: 2-(3',4'-difluorophenyl)-6,7-difluoronaphthalene

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 80℃; for 0.5h; Diels-Alder Cycloaddition;	A n/a B 90%

: 621-23-8
1,2,3-trimethoxybenzene

: 1131-40-4
2-bromo-1,3,5-trimethoxybenzene

Conditions

Conditions	Yield
With N-Bromosuccinimide In tetrachloromethane for 3h; Heating;	100%
With ammonium metavanadate; oxygen; aluminium bromide In diethyl ether at 20℃; for 18h;	99%
With perchloric acid; C34H45MoNO5; tetrabutylammomium bromide; dihydrogen peroxide In d7-N,N-dimethylformamide at 28℃; for 0.4h;	99%

: 621-23-8
1,2,3-trimethoxybenzene

: 5876-90-4
2,4-dibromo-1,3,5-trimethoxybenzene

Conditions

Conditions	Yield
With ammonium metavanadate; oxygen; aluminium bromide In 1,4-dioxane at 80℃; for 4h;	100%
With hydrogen bromide; dimethyl sulfoxide In water; ethyl acetate at 60℃; for 2h;	94%
With oxygen; lithium bromide; copper(ll) bromide In acetic acid at 60℃; under 760.051 Torr; regioselective reaction;	93%

: 621-23-8
1,2,3-trimethoxybenzene

: bis(2,4,6-trimethoxyphenyl)nitrosonium nitrate

Conditions

Conditions	Yield
With dinitrogen tetraoxide; Nitrogen dioxide In dichloromethane Nitration;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 4635-59-0
4-Chlorobutanoyl chloride

: 1-(2,4,6-trimethoxybenzoyl)-1-chloropropane

Conditions

Conditions	Yield
With hydrogenchloride; tin(IV) chloride In benzene	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 1928-76-3
9-benzyl-6-chloro-9H-purine

: 1241556-48-8
6-(1,3,5-trimethoxyphen-4-yl)-9-phenylmethyl-9H-purine

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; 1,1,1,3',3',3'-hexafluoro-propanol at 60℃; for 24h;	100%
With aluminum (III) chloride In 1,2-dichloro-ethane for 0.5h; Reflux;	95%

: 621-23-8
1,2,3-trimethoxybenzene

: 1323902-49-3
tert-butyl ((ethylthio)(phenyl)methyl)carbamate

: 1373935-52-4
tert-butyl N-[phenyl(2,4,6-trimethoxyphenyl)methyl]carbamate

Conditions

Conditions	Yield
With N-iodo-succinimide In dichloromethane at -78℃; for 0.0833333h; Solvent; Temperature; Reagent/catalyst; Friedel-Crafts Alkylation; Sealed tube; Inert atmosphere; chemoselective reaction;	100%

: 6,7-dimethoxy-1,4-dimethyl-1,4-epoxy-1,4-dihydronaphthalene

: 621-23-8
1,2,3-trimethoxybenzene

: 6,7-dimethoxy-1,4-dimethyl-2-(2’,4’,6’-trimethoxyphenyl)naphthalene

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; regioselective reaction;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 4705-93-5
1,4-dihydro-1,4-dimethyl-1,4-epoxynaphthalene

: 1,4-dimethyl-2-(2’,4’,6’-trimethoxyphenyl)naphthalene

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; regioselective reaction;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 132145-64-3
dimethyl 2-(p-methylphenyl)cyclopropane-1,1-dicarboxylate

: dimethyl 2-(2-(p-tolyl)-2-(2,4,6-trimethoxyphenyl)ethyl)malonate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 20℃; for 3h;	100%
With ytterbium(III) triflate In 1,2-dichloro-ethane at 20 - 65℃; Catalytic behavior; Inert atmosphere;	95%

: 621-23-8
1,2,3-trimethoxybenzene

: 536-80-1
iodosylbenzene

: 65-85-0
benzoic acid

: phenyl(2,4,6-trimethoxyphenyl)iodonium(III) benzoate

Conditions

Conditions	Yield
In 2,2,2-trifluoroethanol at 0 - 20℃; for 1h; Inert atmosphere;	100%

...Expand

: 621-23-8
1,2,3-trimethoxybenzene

: 1110700-49-6
dimethyl 2-(2-fluorophenyl)cyclopropane-1,1-dicarboxylate

: dimethyl 2-(2-(2-fluorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl)malonate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 40℃; for 4h;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 3562-73-0
1-(4-phenyl-phenyl)-1-ethanol

: 4-(1-(2,4,6-trimethoxyphenyl)ethyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In 1,2-dichloro-ethane at 100℃; for 4h; Sealed tube;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 3391-10-4
1-(p-chlorophenyl)ethyl alcohol

: 2-(1-(4-chlorophenyl)ethyl)-1,3,5-trimethoxybenzene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In 1,2-dichloro-ethane at 100℃; for 4h; Sealed tube;	100%

: 621-23-8
1,2,3-trimethoxybenzene

: 84655-87-8
SS-morpholino 4-toluene(dithioperoxo)sulfonate

: S-(2,4,6-trimethoxyphenyl) 4-toluenethiosulfonate

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 16h; Inert atmosphere;	100%
Multi-step reaction with 2 steps 1: trifluoroacetic acid; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / dichloromethane / 1 h / 20 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 16 h / 20 °C / Inert atmosphere View Scheme

: 621-23-8
1,2,3-trimethoxybenzene

: 78-94-4
methyl vinyl ketone

: 53581-92-3
4-(2,4,6-trimethoxy-phenyl)-butan-2-one

Conditions

Conditions	Yield
gold(III) chloride; silver trifluoromethanesulfonate In 1,2-dichloro-ethane at 20℃;	99%
gold(III) chloride In acetonitrile at 20℃; for 24h;	99.5%
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 0.0333333h; Michael Addition; Green chemistry;	93%
With dichloro bis(acetonitrile) palladium(II); tin(ll) chloride In acetonitrile at 30℃; for 2h; Kinetics; Reagent/catalyst; Time; Solvent; Michael Addition; Inert atmosphere; Schlenk technique;	92%
With boron trifluoride diethyl etherate

: 621-23-8
1,2,3-trimethoxybenzene

: 25603-67-2
9-phenyl-fluoren-9-ol

: 115322-67-3
9-phenyl-9-(2,4,6-trimethoxyphenyl)-9H-fluorene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 60℃; for 4h; Sealed tube;	99%
With perchloric acid; nitromethane

: 621-23-8
1,2,3-trimethoxybenzene

: 105404-90-8
1,3,5-tribromo-2,4,6-trimethoxybenzene

Conditions

Conditions	Yield
With N-Bromosuccinimide In acetonitrile at 20℃; for 144h;	99%
With bromine excess of reagent;	80%
With bromine; iron(III) chloride In 1,2-dichloro-ethane Heating;	70%
With bromine

: 621-23-8
1,2,3-trimethoxybenzene

: 100-52-7
benzaldehyde

: 54921-79-8
2,2'-(phenylmethylene)bis(1,3,5-trimethoxybenzene)

Conditions

Conditions	Yield
With chloro-trimethyl-silane; bismuth(III) sulfate at 20℃; for 1h;	99%
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 0.0833333h; Friedel-Crafts Alkylation;	96%
With PEG-400 at 50 - 60℃; for 2h; Friedel-Crafts Alkylation; Green chemistry;	92%

: 621-23-8
1,2,3-trimethoxybenzene

: 75-36-5
acetyl chloride

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

Conditions

Conditions	Yield
Stage #1: 1,2,3-trimethoxybenzene In dichloromethane at 0℃; for 0.166667h; Stage #2: acetyl chloride With aluminum (III) chloride In dichloromethane for 2h; Friedel-Crafts Acylation;	99%
With zinc(II) chloride	98%
With 1,1,1,3',3',3'-hexafluoro-propanol at 20℃; for 5h; Friedel-Crafts Acylation; Inert atmosphere;	92%

: 621-23-8
1,2,3-trimethoxybenzene

: 125343-69-3
2,3,4,6-tetra-O-benzyl-1-O-(trifluoroacetyl)-α-D-glucopyranose

: 82300-67-2
1-deoxy-1-(C-2',4',6'-trimethoxyphenyl) 2,3,4,6-tetra-O-benzyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane for 0.0833333h; Ambient temperature;	99%
With boron trifluoride diethyl etherate In dichloromethane for 0.0833333h; Product distribution; Ambient temperature; var. Lewis acids and aryl ethers;;	99%

: 621-23-8
1,2,3-trimethoxybenzene

: 500-99-2
3,5-dimethoxyphenol

Conditions

Conditions	Yield
With orcinol; Acetobacterium dehalogenans veratrol-O-demethylase; Desulfitobacterium hafniense methyltransferase dhaf4611 In aq. buffer at 25℃; for 24h; pH=6.5; Inert atmosphere; Enzymatic reaction; regioselective reaction;	99%
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; N-methylaniline In diethyl ether; xylene at 95℃; for 9h;	85%
With 2-(diethylamino)ethanethiol hydrochloride; sodium t-butanolate In N,N-dimethyl-formamide for 2h; Heating;	84%

: 621-23-8
1,2,3-trimethoxybenzene

: 108-24-7
acetic anhydride

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

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile for 0.5h; Time; Friedel-Crafts Acylation; Inert atmosphere; Microwave irradiation; Heating; Green chemistry;	99%
With trifluoroacetic acid at 20℃; for 1.5h; Friedel-Crafts Acylation;	95%
With boron trifluoride diethyl etherate In ethyl acetate at 20℃; for 2h; Friedel-Crafts Acylation;	93%

: 621-23-8
1,2,3-trimethoxybenzene

: 555-16-8
4-nitrobenzaldehdye

: 54921-80-1
(4-nitrophenyl)-bis-(2,4,6-trimethoxyphenyl)methane

Conditions

Conditions	Yield
With tin(IV) chloride; bis(1,5-cyclooctadiene)diiridium(I) dichloride at 90℃; for 1h;	99%
With air; iodine In toluene at 60℃; for 24h; Friedel Crafts alkylation;	93%
With [1,2,3,4,5-pentamethylcyclopentadiene Ir(SnCl3)2{SnCl2(H2O)2}] In 1,2-dichloro-ethane at 80℃; for 1h;	90%

: 621-23-8
1,2,3-trimethoxybenzene

: 194720-38-2
2,3,5,6-tetramethyl-4-oxo-1-phenylthiocyclohexa-2,5-dienyl 2-chloroacetate

A: 41280-62-0
1,3,5-trimethoxy-2-(phenylsulfanyl)benzene

B: 4-hydroxy-2,3,5,6-tetramethylphenyl 2-chloroacetate

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 0.166667h; Yields of byproduct given;	A 99% B n/a

...Expand

: 621-23-8
1,2,3-trimethoxybenzene

: 194720-38-2
2,3,5,6-tetramethyl-4-oxo-1-phenylthiocyclohexa-2,5-dienyl 2-chloroacetate

: 41280-62-0
1,3,5-trimethoxy-2-(phenylsulfanyl)benzene

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In acetonitrile at -30 - 20℃; for 0.166667h;	99%

: 621-23-8
1,2,3-trimethoxybenzene

: 335642-28-9
1-(2,3,4,5,6-pentafluorophenylthio)-2,3,5,6-tetramethyl-4-oxocyclohexa-2,5-dienyl 2-chloroacetate

A: 4-hydroxy-2,3,5,6-tetramethylphenyl 2-chloroacetate

B: 2-(2,3,4,5,6-pentafluorophenylthio)-1,3,5-trimethoxybenzene

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In acetonitrile at -30 - 0℃; for 0.166667h;	A n/a B 99%

...Expand

: 621-23-8
1,2,3-trimethoxybenzene

: 4752-10-7
1,4-dichlorophthalazine

: 1-chloro-4-(2,4,6-trimethoxyphenyl)phthalazine

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 75℃; for 3.5h; Friedel-Crafts reaction;	99%

1,3,5-Trimethoxybenzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3,5-Trimethoxybenzene Specification

1. Introduction of 1,3,5-Trimethoxybenzene
The IUPAC name of this chemical is 1,3,5-Trimethoxybenzene. With the CAS registry number 621-23-8 and EINECS 210-673-4, it is also named as Benzene,1,3,5-trimethoxy-. In addition, the formula is C₉H₁₂O₃ and the molecular weight is 168.19. It belongs to the classes of Aromatic Ethers; Active Pharmaceutical Ingredients; Benzene derivates. And it is a kind of white crystalline powder.

2. Properties of 1,3,5-Trimethoxybenzene
Physical properties about 1,3,5-Trimethoxybenzene are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 27.69 Å²; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 46.28 cm³; (11)Molar Volume: 161.4 cm³; (12)Polarizability: 18.35 ×10^-24cm³; (13)Surface Tension: 29.8 dyne/cm; (14)Density: 1.041 g/cm³; (15)Flash Point: 85.6 °C; (16)Enthalpy of Vaporization: 47.46 kJ/mol; (17)Boiling Point: 257 °C at 760 mmHg; (18)Vapour Pressure: 0.0239 mmHg at 25°C.

3. Structure Descriptors of 1,3,5-Trimethoxybenzene
(1)SMILES: COc1cc(cc(OC)c1)OC
(2)InChI: InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
(3)InChIKey: LKUDPHPHKOZXCD-UHFFFAOYAM

4. Toxicity of 1,3,5-Trimethoxybenzene

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	580mg/kg (580mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse	LD50	oral	1480mg/kg (1480mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse	LD50	subcutaneous	2800mg/kg (2800mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

5. Use of 1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene it can be used to get 2-bromo-1,3,5-trimethoxy-benzene. This reaction will need reagents 30percent H₂O₂, aq. HClO₄ and KBr, catalyst ammonium metavanadate and solvents methanol and H₂O. The reaction time is 24 hours at ambient temperature. The yield is about 90%.

1,3,5-Trimethoxybenzene can be used to get 2-bromo-1,3,5-trimethoxy-benzene.

6. Preparation of 1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene can be prepared by sulfuric acid dimethyl ester and benzene-1,3,5-triol. This reaction will need reagent K₂CO₃ and solvent acetone. The reaction time is 24 hours and the yield is about 80% by heating.

7. Other details of 1,3,5-Trimethoxybenzene
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. You should avoid contact with skin and eyes and wear suitable protective clothing when you are using it.

Product Name

1,3,5-Trimethoxybenzene

Synthetic route

1,3,5-Trimethoxybenzene Consensus Reports

1,3,5-Trimethoxybenzene Specification

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