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Conditions | Yield |
---|---|
With oxygen at 120℃; under 3750.38 Torr; for 12h; Temperature; Reagent/catalyst; Autoclave; | 99.9% |
at 100℃; under 4137.29 - 15514.9 Torr; for 3h; Temperature; Pressure; | 98% |
With dihydrogen peroxide; Al1.3SiW12O40 at 80 - 250℃; Reagent/catalyst; | 96% |
Conditions | Yield |
---|---|
magnesium(II) perchlorate In nitromethane at 40℃; for 16h; | 99% |
With dmap In tetrahydrofuran for 88h; | 97% |
Conditions | Yield |
---|---|
With phosphotungstic acid for 4h; Reflux; | 98% |
With sulfuric acid for 4h; Reflux; | 93% |
With potassium carbonate In ethyl acetate for 1.5h; Heating; | 92% |
Conditions | Yield |
---|---|
at 20℃; for 24h; | 97% |
for 1h; Heating; Yield given; | |
With triethylamine at 20℃; for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
With dihydrogen peroxide for 3h; Irradiation; | 96% |
With PdCoBi/C; oxygen; potassium carbonate at 60℃; under 760.051 Torr; for 14h; Schlenk technique; Green chemistry; | 96% |
With oxygen at 20℃; for 12h; Irradiation; | 93% |
furan
methanol
tetrachloromethane
A
2-furoic acid methyl ester
B
furan-2,5-dicarboxylic acid dimethyl ester
Conditions | Yield |
---|---|
With copper(l) iodide at 120℃; for 6h; Inert atmosphere; Autoclave; | A 95% B 5% |
With copper(l) iodide at 140℃; for 0.5h; Inert atmosphere; Autoclave; | A 60% B 40% |
Conditions | Yield |
---|---|
With IRA 904 In acetonitrile 2.) 25 deg C, 10 h; | 94% |
Conditions | Yield |
---|---|
With sulfuric acid at 80 - 85℃; for 7.5h; Neat (no solvent); | 92.4% |
Conditions | Yield |
---|---|
With potassium bromide In N,N-dimethyl-formamide at 130℃; for 12h; Schlenk technique; chemoselective reaction; | 90% |
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In toluene at 25℃; for 12h; Sealed tube; Inert atmosphere; Green chemistry; chemoselective reaction; | 88% |
Molecular Structure of Methyl furoate (CAS NO.611-13-2):
IUPAC Name: Methyl furan-2-carboxylate
Molecular Formula: C6H6O3
Molecular Weight: 126.11
EINECS: 210-254-6
FEMA: 2703
Index of Refraction: 1.462
Molar Refractivity: 30.32 cm3
Molar Volume: 110.1 cm3
Surface Tension: 34 dyne/cm
Density: 1.145 g/cm3
Flash Point: 58.6 °C
Enthalpy of Vaporization: 41.76 kJ/mol
Boiling Point: 181.3 °C at 760 mmHg
Vapour Pressure: 0.858 mmHg at 25 °C
Water Solubility: slightly soluble
Sensitive: Lachrymatory
Appearance: Colorless to light yellow liquid
Canonical SMILES: COC(=O)C1=CC=CO1
InChI: InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent; Skin / Eye Irritant
Product Categories: Aromatic Esters; Furan & Benzofuran; ester Flavor
Methyl furoate (CAS NO.611-13-2) can be used in organic synthesis, also used as a solvent.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 1250mg/kg (1250mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 869, 1979. | |
rat | LD50 | oral | 300mg/kg (300mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0559247, |
rat | LDLo | intraperitoneal | 75mg/kg (75mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936. |
Reported in EPA TSCA Inventory.
Safety Information of Methyl furoate (CAS NO.611-13-2):
Hazard Codes: Xn,Xi
Risk Statements: 36/37/38-21/22-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R21/22:Harmful in contact with skin and if swallowed.
R22:Harmful if swallowed.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: LV1950000
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
Poison by intraperitoneal route. A skin irritant and lachrymator. When heated to decomposition it emits acrid smoke and irritating fumes.
Methyl furoate (CAS NO.611-13-2), its Synonyms are 2-(Methoxycarbonyl)furan ; 2-Furancarboxylic acid, methyl ester ; 2-Furoic acid, methyl ester ; Methyl 2-furancarboxylate ; Methyl 2-furoate ; Methyl 2-furylcarboxylate ; Methyl pyromucate ; Pyromucic acid methyl ester .