Conditions | Yield |
---|---|
With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube; | 99% |
With tert.-butylhydroperoxide In water at 70℃; for 3h; Green chemistry; | 91% |
With sodium chlorite In acetonitrile 1.) 10 deg C, 2 h, 2.) RT, 3 h; | 90% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water; toluene at 20 - 85℃; for 4h; | 99% |
With Cu(II)-complex of salen-H4; dihydrogen peroxide In acetonitrile at 80℃; for 2h; | 93% |
With dihydrogen peroxide; oxygen; (2-OPhCH2NHCH2)2(2-)*Co(2+) In acetonitrile at 80℃; for 4h; | 80% |
Stage #1: (3,4,5-trimethoxyphenyl)methanol With C27H29BrFIrN2O; potassium hydroxide In toluene for 4h; Inert atmosphere; Reflux; Stage #2: With hydrogenchloride In water | 72% |
Eudesmic acid
Conditions | Yield |
---|---|
With water; N,N-dimethyl-formamide at 70℃; for 6h; Green chemistry; chemoselective reaction; | 96% |
tert-butylisonitrile
3,4,5-trimethoxyphenylboronic Acid
Eudesmic acid
Conditions | Yield |
---|---|
Stage #1: tert-butylisonitrile; 3,4,5-trimethoxyphenylboronic Acid With copper diacetate; palladium diacetate In N,N-dimethyl-formamide at 100℃; for 24h; Molecular sieve; Sealed tube; Stage #2: With water In N,N-dimethyl-formamide Molecular sieve; Sealed tube; | 96% |
Conditions | Yield |
---|---|
Stage #1: 3,4,5-trimethoxybenzoic acid methyl ester With potassium hydroxide In ethanol; water for 3h; Reflux; Stage #2: With sulfuric acid In water | 95% |
With potassium hydroxide In ethanol for 48h; Reflux; | 95.6% |
With potassium hydroxide In ethanol for 48h; Reflux; | 95.6% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20 - 120℃; Concentration; Inert atmosphere; | 95.6% |
Conditions | Yield |
---|---|
With Oxone; trifluoroacetic acid In 1,4-dioxane for 10h; Reflux; Green chemistry; | 95% |
With Iron(III) nitrate nonahydrate; iodine; oxygen; dimethyl sulfoxide at 130℃; under 750.075 Torr; for 12h; Sealed tube; Green chemistry; | 81% |
With Iron(III) nitrate nonahydrate; iodine; oxygen In dimethyl sulfoxide at 10℃; for 12h; Sealed tube; | 81% |
With water; potassium hydroxide at 20℃; Electrolysis; |
Eudesmic acid
Conditions | Yield |
---|---|
With water; N,N-dimethyl-formamide at 70℃; for 6h; Green chemistry; chemoselective reaction; | 95% |
carbon monoxide
3,4,5-trimethoxyphenyl trifluoromethanesulfonate
Eudesmic acid
Conditions | Yield |
---|---|
With potassium acetate; 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate In dimethyl sulfoxide at 60℃; for 3h; | 94% |
3,4,5-trimethoxybenzaldehyde oxime
Eudesmic acid
Conditions | Yield |
---|---|
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h; | 92% |
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 50h; Heating; | 16% |
acetic acid 3,4,5-trimethoxy-phenyl ester
Eudesmic acid
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; acetic acid at 70℃; for 4h; | 91% |
2-(3,4,5-trimethoxyphenyl)-2-oxoacetaldehyde
Eudesmic acid
Conditions | Yield |
---|---|
With iodine; dimethyl sulfoxide at 180℃; for 0.0833333h; Inert atmosphere; Microwave irradiation; | 89% |
Eudesmic acid
Conditions | Yield |
---|---|
With ammonium cerium (IV) nitrate; oxygen In acetonitrile at 20 - 50℃; for 4h; | 88% |
3,4,5-trimethoxybenzylamine
Eudesmic acid
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide at 120℃; for 5h; Ionic liquid; | 86% |
Conditions | Yield |
---|---|
85% | |
cetyltrimethylammonim bromide In sodium hydroxide; chloroform Ambient temperature; | 80% |
With tetra-(n-butyl)ammonium iodide; potassium carbonate for 12h; Reflux; | 78% |
3,4,5-trimethoxy-benzoic acid tert-butyl ester
Eudesmic acid
Conditions | Yield |
---|---|
With water; iodine In acetonitrile for 3h; Heating; | 82% |
2-bromo-3,4,5-trimethoxybenzoic acid
A
3,4,5-trimethoxy-2-(2-oxopropyl)benzoic acid
B
Eudesmic acid
Conditions | Yield |
---|---|
With acetone for 2h; | A 77% B 11% |
tert.-butylhydroperoxide
(3,4,5-trimethoxyphenyl)methanol
A
3,4,5-trimethoxybenzoic acid methyl ester
B
Eudesmic acid
Conditions | Yield |
---|---|
With potassium phosphate; copper quinolate; tetra-(n-butyl)ammonium iodide In water; dimethyl sulfoxide at 120℃; for 24h; | A 70% B n/a |
4-methyl-N′-(3,4,5-trimethoxybenzylidene)-benzenesulfonohydrazide
Eudesmic acid
Conditions | Yield |
---|---|
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 20h; Heating; | 68% |
2-(3,4,5-trimethoxyphenyl)acetonitrile
Eudesmic acid
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; copper diacetate In neat (no solvent) at 80℃; for 5h; Green chemistry; | 68% |
1-(3,4,5-trimethoxyhenyl)ethanol
Eudesmic acid
Conditions | Yield |
---|---|
With Iron(III) nitrate nonahydrate; iodine; oxygen; dimethyl sulfoxide at 130℃; under 750.075 Torr; for 12h; Sealed tube; Green chemistry; | 68% |
With Iron(III) nitrate nonahydrate; iodine; oxygen In dimethyl sulfoxide at 110℃; for 12h; Sealed tube; | 68% |
Conditions | Yield |
---|---|
With trifluoroacetic acid; sodium nitrite In chloroform at 0 - 5℃; for 1h; | A n/a B 46% C n/a |
4-(3,4-methylenedioxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butyramide
A
1-(benzo[d][1,3]dioxol-6-yl)ethanone
B
(Z)-2-(3,4,5-trimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxo-2-butenoic acid
C
4-(3,4-methylenedioxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butyric acid
D
Eudesmic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol for 10h; Product distribution; Heating; var. condition; | A 16% B 18.5% C 44.7% D 13.6% |
With sodium hydroxide In ethanol for 10h; Heating; | A 0.227 g B n/a C n/a D n/a |
With sodium hydroxide In ethanol for 6h; Heating; | A 0.021 g B 0.056 g C 0.14 g D 0.023 g |
Conditions | Yield |
---|---|
41% |
3,4,5-trimethoxybenzaldehyde N-[-(3,4,5-trimethoxyphenyl)methylidene]hydrazone
Eudesmic acid
Conditions | Yield |
---|---|
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 40h; Heating; | 33% |
Conditions | Yield |
---|---|
With piperidine; ethanol anschliessendes Erwaermen mit wss. Alkalilauge; |
Conditions | Yield |
---|---|
With potassium permanganate |
Conditions | Yield |
---|---|
With alkaline permanganate at 60 - 65℃; |
Conditions | Yield |
---|---|
With potassium permanganate |
Conditions | Yield |
---|---|
With sulfuric acid at 65℃; for 24h; | 100% |
at 65℃; for 24h; Acidic conditions; | 100% |
With sulfuric acid Reflux; | 97% |
Conditions | Yield |
---|---|
With thionyl chloride In dichloromethane Heating; | 100% |
With thionyl chloride In chloroform for 4h; Reflux; | 100% |
With thionyl chloride In CH2C3 for 3h; Reflux; | 100% |
Eudesmic acid
(2-bromo-3,4,5-trimethoxyphenyl)methanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran for 12h; | 100% |
13(S)-labdan-8α,15-diol
Eudesmic acid
Conditions | Yield |
---|---|
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; Cooling with ice; | 100% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 49h; Inert atmosphere; | 100% |
Eudesmic acid
2-iodo-3,4,5-trimethoxybenzoic acid
Conditions | Yield |
---|---|
With iodine; silver trifluoroacetate In chloroform for 3h; | 99% |
With iodine; silver trifluoroacetate In chloroform at 65℃; for 4.5h; Inert atmosphere; | 93% |
With mercury(II) diacetate; sodium chloride 2.) ethanol, reflux, 25 min; Yield given. Multistep reaction; |
Eudesmic acid
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 73h; | 99% |
Eudesmic acid
Conditions | Yield |
---|---|
In tetrahydrofuran byproducts: HF; react. of Mo complex with 6 equiv. of HOOCC6H2(OCH3)3 at heating; detd. by IR, (1)H and (13)F NMR spectroscopy; | 99% |
Conditions | Yield |
---|---|
With sulfuric acid for 3h; Heating; | 98% |
With sulfuric acid Reflux; | 91% |
With sulfuric acid | 81% |
Conditions | Yield |
---|---|
In various solvent(s) at 80℃; for 4.5h; | 98% |
O-methylresorcine
Eudesmic acid
3-methoxyphenyl 3,4,5-trimethoxybenzoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; | 98% |
N,O-dimethylhydroxylamine*hydrochloride
Eudesmic acid
N-methoxy-N-methyl-3,4,5-trimethoxybenzamide
Conditions | Yield |
---|---|
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0℃; Inert atmosphere; | 98% |
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 3h; | 82% |
In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; |
4,4'-dimethoxydiphenylacetylene
Eudesmic acid
5,6,7-trimethoxy-3,4-bis(4-methoxyphenyl)isocoumarin
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate In N,N-dimethyl-formamide at 120℃; for 6h; regioselective reaction; | 98% |
2-(4-bromo-7-methoxybenzo[d][1,3]dioxol-5-yl)ethan-1-amine
Eudesmic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 16h; | 98% |
(R)-3-bromo-2-methyl-1-propanol
Eudesmic acid
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 19h; | 98% |
3,4-dimethoxyphenol
Eudesmic acid
3,4-dimethoxyphenyl 3,4,5-trimethoxybenzoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 4.5h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 4.5h; | 97% |
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 50℃; for 18h; Inert atmosphere; |
tert-butylisonitrile
4-[2,2-bis(trimethylsilyl)ethenyl]benzaldehyde
Eudesmic acid
Conditions | Yield |
---|---|
In water at 20℃; for 2h; Passerini Condensation; | 97% |
Conditions | Yield |
---|---|
With [RhCl2(p-cymene)]2; tricyclohexylphosphine oxide; sodium hydrogencarbonate In 1,2-dichloro-ethane at 100℃; for 4h; Sealed tube; regioselective reaction; | 97% |
Conditions | Yield |
---|---|
With [Ru(O2CMes)2(p-cymene)] In 1,2-dichloro-ethane at 110℃; for 24h; Inert atmosphere; chemoselective reaction; | 97% |
Conditions | Yield |
---|---|
With triethylamine; Phenyl N-phenylphosphoramidochloridate In dichloromethane for 1h; Ambient temperature; | 96% |
With 1-ethyl-piperidine; N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride In acetone at 20℃; for 0.5h; | 95% |
With methanesulfonyl chloride; triethylamine In tetrahydrofuran at 0℃; | 90% |
With pyridine; thionyl chloride; diethyl ether at 0℃; | |
With 2,4,6-trimethyl-pyridine; carbon tetrabromide In N,N-dimethyl-formamide for 0.5h; UV-irradiation; | 65 %Spectr. |
Eudesmic acid
2-bromo-3,4,5-trimethoxybenzoic acid
Conditions | Yield |
---|---|
With bromine In chloroform; water for 18h; Heating; | 96% |
With sodium hydroxide; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione at 20℃; for 36h; | 96% |
With bromine In chloroform; water Reflux; | 96% |
2,3,4-tri-O-acetyl-β-D-glucopyranosylamine uronic acid methyl ester
Eudesmic acid
(2S,3S,4S,5R,6R)-3,4,5-Triacetoxy-6-(3,4,5-trimethoxy-benzoylamino)-tetrahydro-pyran-2-carboxylic acid methyl ester
Conditions | Yield |
---|---|
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 12h; | 96% |
(S)-(-)-4-(3,4,5-trimethoxyphenyl)-3-butyn-2-ol
Eudesmic acid
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; | 96% |
1-adamantan-1-yl-3-(3-(4-(piperazin-1-yl)butoxy)phenyl)urea
Eudesmic acid
1-adamantan-1-yl-3-(3-(4-(4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl)butoxy)phenyl)urea
Conditions | Yield |
---|---|
Stage #1: 1-adamantan-1-yl-3-(3-(4-(piperazin-1-yl)butoxy)phenyl)urea; Eudesmic acid With 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine In dichloromethane for 0.166667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 10h; | 96% |
Stage #1: 1-adamantan-1-yl-3-(3-(4-(piperazin-1-yl)butoxy)phenyl)urea With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.166667h; Stage #2: Eudesmic acid With N-ethyl-N,N-diisopropylamine at 0 - 20℃; | 69% |
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate; di-tert-butyl peroxide at 120℃; for 24h; Schlenk technique; | 96% |
The Molecular Structure of 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2):
Empirical Formula: C10H12O5
Molecular Weight: 212.1993
IUPAC Name: 3,4,5-trimethoxybenzoic acid
Appearance: white to beige fine crystalline powder
Nominal Mass: 212 Da
Average Mass: 212.1993 Da
Monoisotopic Mass: 212.068473 Da
Index of Refraction: 1.523
Molar Refractivity: 53.21 cm3
Molar Volume: 173.9 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.219 g/cm3
Flash Point: 128.8 °C
Enthalpy of Vaporization: 65.81 kJ/mol
Boiling Point: 376.3 °C at 760 mmHg
Vapour Pressure: 2.49E-06 mmHg at 25°C
InChI
InChI=1/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Smiles
c1(c(cc(C(O)=O)cc1OC)OC)OC
Synonyms: AI3-21153 ; EINECS 204-248-2 ; Eudesmic acid ; Gallic acid trimethyl ether ; Tri-O-methylgallic acid ; Veratric acid, 5-methoxy- ; Benzoic acid, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2) can be used as intermediates in medicine and organic synthesis.
Safty inaformations about 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2):
Hazard Codes :XiXn
Risk Statements :
R36/37/38:Irritating to eyes, respiratory system and skin
R20/21/22 :Harmful by inhalation, in contact with skin and if swallowed
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 : 1
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