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CAS No.: | 118-41-2 |
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Name: | Gallic acid trimethyl ether |
Article Data: | 172 |
Molecular Structure: | |
Formula: | C10H12O5 |
Molecular Weight: | 212.202 |
Synonyms: | 3,4,5-trimethoxybenzoic acid;gallic acid trimethyl ether;3,4,5-TrimethoxyBenzoicAcid;3,4,5-trimethoxybenzoate;Tri-O-methylgallic acid;Eudesmic acid;Benzoic acid,3,4,5-trimethoxy-;Veratric acid, 5-methoxy-;Gallic acid trimethyl ether;Benzoic acid, 3,4,5-trimethoxy-; |
EINECS: | 204-248-2 |
Density: | 1.219 g/cm3 |
Melting Point: | 168-171 °C(lit.) |
Boiling Point: | 376.3 °C at 760 mmHg |
Flash Point: | 128.8 °C |
Solubility: | insoluble in water |
Appearance: | white to beige fine crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 64.99000 |
LogP: | 1.41060 |
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% |
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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