2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With titanium tetrachloride; tetra-(n-butyl)ammonium iodide In dichloromethane at -78℃; for 0.5h; deprenylation; | 100% |
Conditions | Yield |
---|---|
With sulfuric acid for 4h; Reflux; | 99% |
With sulfuric acid In water for 4h; Reflux; | 97.25% |
With alumina methanesulfonic acid at 120℃; for 0.333333h; Microwave irradiation; | 96% |
Conditions | Yield |
---|---|
With palladium chloride*2MeCN; chloranil In 1,4-dioxane at 100℃; for 18h; | 95% |
With 5-trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]-iodoxol-1-ol anion In diethylene glycol dimethyl ether; water at 40℃; for 24h; | 32% |
Conditions | Yield |
---|---|
With Candida cylindracea lipase In di-isopropyl ether; butan-1-ol at 28 - 30℃; for 48h; | 94% |
With aluminium trichloride; potassium iodide In water; acetonitrile at 80℃; for 4h; | 80% |
2-(But-2-enyl-1-oxy)benzoesaeureethylester
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With titanium tetrachloride; tetra-(n-butyl)ammonium iodide In dichloromethane at -78℃; for 0.5h; deprenylation; | 94% |
Conditions | Yield |
---|---|
With potassium phosphate; N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 4h; | 94% |
Conditions | Yield |
---|---|
With cesium fluoride In acetonitrile for 3h; Heating; | 90% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 40℃; for 0.583333h; | 90% |
Conditions | Yield |
---|---|
With perchloric acid; sodium percarbonate; vanadia for 4.5h; Cooling; | 89% |
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In ethanol for 4h; Inert atmosphere; Reflux; | 83% |
boron trifluoride diethyl etherate
salicylic acid
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
at 120℃; for 4h; | 78% |
Conditions | Yield |
---|---|
With oxone; Ru(MesCO2)(4,4'-dibromobipyridine)(p-cymene); trifluoroacetic acid; trifluoroacetic anhydride In 1,2-dichloro-ethane at 85℃; for 6h; Reagent/catalyst; Sealed tube; Green chemistry; regioselective reaction; | 74% |
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; Selectfluor; trifluoroacetic acid; trifluoroacetic anhydride at 85℃; for 7.5h; | 73% |
With palladium diacetate; 1-fluoro-pyridinium tetrafluoroborate; trifluoroacetic acid; trifluoroacetic anhydride at 90℃; for 8h; Sealed tube; regioselective reaction; | 69% |
Conditions | Yield |
---|---|
With 1,3-diazido-propane In neat (no solvent) at 20℃; for 0.333333h; | 74% |
diethyl (trichloromethyl)phosphonate
salicylic acid
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
at 120℃; for 24h; | 72% |
ethyl 3-oxohept-6-enoate
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With oxygen; copper diacetate; palladium diacetate In dimethyl sulfoxide at 45℃; under 760.051 Torr; for 23h; chemoselective reaction; | 71% |
Stage #1: ethyl 3-oxohept-6-enoate With hydrogenchloride; palladium chloride*2MeCN; copper dichloride In 1,4-dioxane; water at 70℃; for 15h; Stage #2: With chloranil at 100℃; for 18h; | 60% |
Conditions | Yield |
---|---|
With urea-2,2-dihydroperoxypropane; hydrogen bromide; acetic acid at 20℃; for 13h; | 68% |
With dihydrogen peroxide at 60℃; for 3h; | |
With cation-exchange resin 001x7 modified with Ce(SO4)2 at 94.84℃; under 760.051 Torr; for 12h; |
Conditions | Yield |
---|---|
With 2-(diethylamino)ethanethiol hydrochloride; sodium t-butanolate In N,N-dimethyl-formamide for 1h; Heating; | 56% |
Conditions | Yield |
---|---|
With 5-trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]-iodoxol-1-ol anion In diethylene glycol dimethyl ether; water at 40℃; for 24h; | 53% |
2-(ethoxycarbonyl)phenylboronic acid
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With [Rh2(bpy)2(μ-OAc)2(OAc)2]; oxygen; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide under 760.051 Torr; for 18h; Irradiation; | 50% |
tetrachloromethane
ethanol
phenol
A
Ethyl 4-hydroxybenzoate
B
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With diiron nonacarbonyl at 130℃; for 6h; Inert atmosphere; Sealed tube; | A 45% B 28% |
ethyl 6-acetoxy-6,7-dihydrooxepine-2-carboxylate
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
at 610℃; under 5 Torr; | 28% |
2,4,6-trimethyl-pyridine
ethyl 1-chloro-2-oxocyclohexanecarboxylate
A
cyclohexenone
B
2-hydroxy-benzoic acid ethyl ester
2,4,6-trimethyl-pyridine
1-bromo-2-oxo-cyclohexanecarboxylic acid ethyl ester
A
ethyl 2-oxocyclohexane carboxylate
B
2-hydroxy-benzoic acid ethyl ester
ethyl 3-bromo-2-oxocyclohexanecarboxylate
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
at 220 - 240℃; |
2-hydroxy-benzoic acid ethyl ester
chloroformic acid ethyl ester
phenol
A
ethyl phenyl carbonate
B
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
unter verschiedenen Bedingungen; |
1-bromo-2-oxo-cyclohexanecarboxylic acid ethyl ester
aniline
A
ethyl 2-oxocyclohexane carboxylate
B
2-hydroxy-benzoic acid ethyl ester
ethyl ester of p-toluenesulfonic acid
salicylic acid
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With sodium carbonate |
ethanol
CYANAMID
salicylic acid
A
urea
B
2-hydroxy-benzoic acid ethyl ester
propargyl bromide
2-hydroxy-benzoic acid ethyl ester
ethyl 2-(prop-2-yn-1-yloxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran | 100% |
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide; toluene at 20℃; for 20h; |
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 70℃; for 0.00111111h; | 99.1% |
With hydrazine hydrate In ethanol; water Reflux; | 85% |
With hydrazine hydrate In ethanol at 80℃; for 12h; | 82% |
trifluoromethylsulfonic anhydride
2-hydroxy-benzoic acid ethyl ester
2-trifluoromethylsulfonyloxybenzoic acid ethyl ester
Conditions | Yield |
---|---|
With sodium hydride In hexane; dichloromethane at -78 - 0℃; for 18.5h; | 99% |
With pyridine In dichloromethane at 20℃; for 0.5h; | 99% |
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere; | 95% |
Stage #1: 2-hydroxy-benzoic acid ethyl ester With sodium hydride In hexane; dichloromethane; mineral oil at 0℃; Inert atmosphere; Stage #2: trifluoromethylsulfonic anhydride In hexane; dichloromethane; mineral oil at -78℃; Inert atmosphere; | 90% |
ethanolamine
2-hydroxy-benzoic acid ethyl ester
N-(2-hydroxyethyl)salicylamide
Conditions | Yield |
---|---|
In neat (no solvent) at 60℃; for 0.75h; Solvent; Temperature; Microwave irradiation; Green chemistry; | 99% |
at 170℃; for 2h; |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -78℃; for 4h; Inert atmosphere; | 99% |
2-hydroxy-benzoic acid ethyl ester
3,5-dibromo-2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With benzyltrimethylammonium tribromide; calcium carbonate In methanol; dichloromethane | 98% |
With bromine |
Conditions | Yield |
---|---|
With ammonia; boron phosphate at 400℃; for 0.000277778h; | 98% |
Multi-step reaction with 2 steps 1: alcohol; ammonia / 100 °C 2: phosphorus pentoxide View Scheme | |
Multi-step reaction with 2 steps 1: alcohol; ammonia / 100 °C 2: phosphorus pentoxide View Scheme | |
Multi-step reaction with 3 steps 1: alcohol; ammonia / 100 °C 2: P2S5 3: bei der Destillation unter vermindertem Druck View Scheme |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 40℃; for 48h; Inert atmosphere; | 98% |
n-Dodecylamine
2-hydroxy-benzoic acid ethyl ester
N-dodecyl-2-hydroxybenzamide
Conditions | Yield |
---|---|
With phenylboronic acid In neat (no solvent) at 60℃; for 0.75h; Reagent/catalyst; Solvent; Microwave irradiation; Green chemistry; | 97% |
With Candida antarctica lipase B In neat (no solvent) at 65℃; under 37.5038 Torr; for 20h; Catalytic behavior; Concentration; Green chemistry; Enzymatic reaction; | 99 %Chromat. |
Conditions | Yield |
---|---|
With phenylboronic acid In neat (no solvent) at 60℃; for 0.75h; Reagent/catalyst; Solvent; Microwave irradiation; Green chemistry; | 97% |
allyl bromide
2-hydroxy-benzoic acid ethyl ester
ethyl 2-(allyloxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 18h; Reflux; | 96% |
Stage #1: 2-hydroxy-benzoic acid ethyl ester With caesium carbonate In N,N-dimethyl-formamide Stage #2: allyl bromide In N,N-dimethyl-formamide at 60℃; for 4h; | 88% |
With potassium carbonate In N,N-dimethyl-formamide for 21h; Ambient temperature; | 84% |
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide In methanol for 5h; Heating; | 96% |
scandium tris(trifluoromethanesulfonate) at 64℃; for 144h; | 72% |
ethyl bromoacetate
2-hydroxy-benzoic acid ethyl ester
ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 60℃; for 3h; Williamson Ether Synthesis; | 96% |
With potassium carbonate In acetone at 60℃; for 3h; | 96% |
With potassium carbonate In acetone at 60℃; for 3h; | 96% |
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 20℃; for 24h; |
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium carbonate at 20℃; Milling; | 96% |
1-(2-chloroethoxy)-3,5-dichlorothiatriazine
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at -30℃; | 95% |
benzyl bromide
2-hydroxy-benzoic acid ethyl ester
2-benzyloxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 8h; Reflux; Inert atmosphere; | 94.71% |
With potassium hydroxide In dimethyl sulfoxide at 45℃; for 5h; Alkylation; | 89.7% |
(2,4-dinitro-phenyl)-hydrazine
2-hydroxy-benzoic acid ethyl ester
C13H10N4O6
Conditions | Yield |
---|---|
In ethanol at 20℃; for 2h; | 94% |
1-octadecanol
2-hydroxy-benzoic acid ethyl ester
octadecyl 2-hydroxybenzoate
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate In n-heptane at 105℃; for 35h; Inert atmosphere; | 94% |
propan-1-ol-3-amine
2-hydroxy-benzoic acid ethyl ester
2–hydroxy–N-(3-hydroxypropyl)benzamide
Conditions | Yield |
---|---|
In hexane at 60℃; for 24h; Solvent; | 94% |
for 4h; Reflux; |
Conditions | Yield |
---|---|
With phenylboronic acid In neat (no solvent) at 60℃; for 0.75h; Reagent/catalyst; Solvent; Microwave irradiation; Green chemistry; | 94% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; | 94% |
dipropargyl ether
2-hydroxy-benzoic acid ethyl ester
ethyl 2-(prop-2-yn-1-yloxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In acetone; toluene at 20℃; | 94% |
Trimethylenediamine
2-hydroxy-benzoic acid ethyl ester
N,N'-bis(2-hydroxybenzoyl)-1,3-diaminopropane
Conditions | Yield |
---|---|
at 110℃; for 5h; | 93% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; N,N,N-trimethylbenzenemethanaminium dichloroiodate In methanol; dichloromethane for 7h; Ambient temperature; | 92% |
With iodine; silver sulfate In ethanol at 20℃; | 78% |
Structure of Ethyl salicylate (CAS NO.118-61-6):
Molecular Formula: C9H10O3
Molar mass: 166.17 g/mol
EINECS: 204-265-5
Density: 1.168 g/cm3
Flash Point: 93.8 °C
Index of Refraction: 1.538
Boiling Point: 234.4 °C at 760 mmHg
Vapour Pressure: 0.0348 mmHg at 25°C
Melting point: 1 °C(lit.)
Appearance: Clear colourless to pale yellow liquid
Product categories: Aromatic Esters ; Pharmaceutical Intermediates ; Heterocyclic Compounds
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 3
Systematic Name: Ethyl 2-hydroxybenzoate
SMILES: O=C(OCC)c1ccccc1O
InChI: InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChIKey: GYCKQBWUSACYIF-UHFFFAOYAH
Std. InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
Std. InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N
Ethyl salicylate (CAS NO.118-61-6) is not used for the modulation daily soap flavor, but also used in the pharmaceutical.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | oral | 1400mg/kg (1400mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 751, 1978. | |
guinea pig | LDLo | subcutaneous | 1500mg/kg (1500mg/kg) | American Journal of Physiology. Vol. 13, Pg. 331, 1905. | |
rat | LD50 | oral | 1320mg/kg (1320mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 751, 1978. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and subcutaneous routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazard Codes of Ethyl salicylate (CAS NO.118-61-6): Xn,Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Ethyl salicylate (CAS NO.118-61-6) also can be called Salicylic acid, ethyl ester ; Ethyl 2-hydroxybenzoate ; Ethyl o-hydroxybenzoate and benzoic acid, 2-hydroxy-, ethyl ester .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing.Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Then you have the ingesting of the product : Do not induce vomiting.If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
In addition, It can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, strong bases, and you must not take it with light, strong oxidants and incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases, carbon dioxide, carbon monoxide.
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