formic acid
ethyl difluoroacetate
A
Difluoroacetic acid
B
formic acid ethyl ester
Conditions | Yield |
---|---|
sulfuric acid at 70℃; Product distribution / selectivity; | A 96% B n/a |
4-oxopentanoic acid ethyl ester
orthoformic acid triethyl ester
A
ethyl 4,4-diethoxypentanoate
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol at 145℃; ketalization; | A 94% B n/a |
Conditions | Yield |
---|---|
With 1H-imidazole for 24h; Ambient temperature; | 93% |
With 1H-imidazole Yield given; |
orthoformic acid triethyl ester
A
ethyl bromide
B
ethyl trimethylsilyl ether
C
formic acid ethyl ester
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; sodium bromide for 2h; Product distribution; Heating; Me3SiBr generated in situ; | A n/a B n/a C 92% |
ethanol
sodium salt of β-mercaptonaphthalene
A
ethyl 2-naphthyl sulfide
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With carbon monoxide at 150℃; under 75006 Torr; for 21h; | A 90% B n/a |
Conditions | Yield |
---|---|
With ozone at 24.85℃; under 100 Torr; for 0.416667h; Kinetics; | A n/a B 86% |
With dihydrogen peroxide at 98.85℃; under 100 Torr; for 4h; Kinetics; Further Variations:; Temperatures; Pressures; Reagents; Irradiation; | A n/a B 83% |
With ozone at 24.84℃; under 760.051 Torr; Kinetics; Concentration; Time; Gas phase; | A 15 %Chromat. B 80 %Chromat. |
methyl chloroformate
dibutyl (diethoxymethyl)phosphine
A
chloroethane
B
dibutyl(methoxycarbonyl)phosphine
C
formic acid ethyl ester
Conditions | Yield |
---|---|
In diethyl ether for 4h; Heating; | A n/a B 85% C n/a |
tris(2-diphenylphosphanylethyl)aminerhodium(I) hydride
ethyl cyanoformate
N(CH2CH2P(C6H5)2)3RhCN
B
formic acid ethyl ester
Conditions | Yield |
---|---|
In tetrahydrofuran soln. of formate added to stirred suspn. of complex (N2), gently warmed to 40°C (1 h), cooled to room temp.; mixt. of ethanol/n-hexane (1:1) added, concd. (brisk current of N2), sepd., collected on sintered glass frits, washed (EtOH, pentane), dried (N2); | A 71% B 85% |
Triethyl orthoacetate
allyl alcohol
A
ethanol
B
ethyl 4-pentenoate
D
ethyl acetate
E
formic acid ethyl ester
Conditions | Yield |
---|---|
With formic acid at 150℃; for 16h; Reagent/catalyst; Johnson-Claisen Rearrangement; Autoclave; | A n/a B 83% C n/a D n/a E n/a |
Conditions | Yield |
---|---|
at 120℃; for 24h; | 82% |
5-hydroxymethyl-2-furfuraldehyde
ethanol
A
5-(ethoxymethyl)furfural
B
4-oxopentanoic acid ethyl ester
C
formic acid ethyl ester
Conditions | Yield |
---|---|
With sulfuric acid at 75℃; for 24h; Reagent/catalyst; Temperature; Sealed tube; | A 81% B 16% C n/a |
Dichloromethyl methyl ether
ethyl P-(diethoxymethyl)phosphonite
A
diethyl phosphorylchloridite
B
chloroethane
C
Methyl formate
D
formic acid ethyl ester
Conditions | Yield |
---|---|
at 60 - 70℃; Product distribution; argon atmosphere; | A 80% B n/a C n/a D n/a |
N,N-dimethyl-formamide
Ethyl diethoxyacetate
A
2,2-diethoxy-N,N-dimethylacetamide
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With lithium methanolate In methanol at 80℃; for 10h; Product distribution / selectivity; | A 80% B n/a |
tris(2-diphenylphosphanylethyl)phosphanerhodium(I) hydride
ethyl cyanoformate
RhCN(tris(2-(diphenylphosphino)ethyl)phosphine)
B
formic acid ethyl ester
Conditions | Yield |
---|---|
In tetrahydrofuran neat formate pipetted into soln. of complex, heated at ca. 40°C (20-30 min), cooled to room temp.; ethanol/n-hexane 1:1 added, concd. (N2), crystals collected on sintered glass frits, washed (EtOH, pentane), dried (N2); | A 70% B 80% |
Conditions | Yield |
---|---|
With ethanol; sodium hydroxide at 82 - 96℃; for 4.5h; Reflux; elimination of ethyl formate; | A 79% B n/a |
Dichloromethyl methyl ether
(diethoxymethyl)diisopropylphosphine oxide
A
chloroethane
B
Methyl formate
C
Chlorodiisopropylphosphane
D
formic acid ethyl ester
Conditions | Yield |
---|---|
at 60℃; for 1h; Product distribution; argon atmosphere; | A n/a B n/a C 76% D n/a |
pentacarbonylhydridomanganese
A
(CO)5MnCo(CO)4
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With carbon monoxide In n-heptane Kinetics; heptane, 25°C, CO atmosphere, 24 h; evapd. in vac. at 0°C, crystd. at -79°C; | A 71% B n/a |
Conditions | Yield |
---|---|
With phosphorus pentoxide; copper(II) sulfate; sodium sulfate for 20h; Ambient temperature; | 70% |
With Ag2(4,4'-bipy)2(O3SCH2CH2SO3)*4H2O-based polymer Reflux; | 70% |
With sulfuric acid; mercury(II) sulfate unter Durchleiten von Acetylen; |
dicyclohexyl peroxydicarbonate
orthoformic acid triethyl ester
A
diethoxycyclohexyloxymethane
B
formic acid ethyl ester
C
Diethyl carbonate
Conditions | Yield |
---|---|
at 60℃; for 2h; | A 70% B n/a C n/a |
orthoformic acid triethyl ester
A
diethoxycyclohexyloxymethane
B
formic acid ethyl ester
C
Diethyl carbonate
Conditions | Yield |
---|---|
With dicyclohexyl peroxydicarbonate at 60℃; for 2h; | A 70% B n/a C n/a |
With dicyclohexyl peroxydicarbonate at 60℃; for 4h; | A 0.56 mmol B 0.37 mmol C 0.17 mmol |
styrene
ethanol
A
formaldehyd
B
benzoic acid ethyl ester
C
benzaldehyde
D
formic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: styrene; ethanol With ozone Stage #2: at 90 - 100℃; Further byproducts given; | A 6% B 63.4% C 6.3% D 20.4% |
5-hydroxymethyl-2-furfuraldehyde
ethanol
A
4-oxopentanoic acid ethyl ester
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With sulfuric acid at 120℃; for 30h; Reagent/catalyst; Sealed tube; | A 62% B n/a |
Acetyl bromide
ethyl P-(diethoxymethyl)phosphonite
A
ethyl bromide
B
formic acid ethyl ester
C
diethyl acetylphosphonate
Conditions | Yield |
---|---|
for 1h; Heating; argon atmosphere; | A n/a B n/a C 61% |
bromoethyl ethyl ether
orthoformic acid triethyl ester
A
diethyl acetal
B
formic acid ethyl ester
Conditions | Yield |
---|---|
at 25℃; | A 61% B n/a |
2-oxo-propionic acid ethyl ester
orthoformic acid triethyl ester
A
ethyl 2,2-diethoxypropionate
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol | A 61% B n/a |
1-chloroethyl ethyl ether
orthoformic acid triethyl ester
A
diethyl acetal
B
formic acid ethyl ester
Conditions | Yield |
---|---|
for 12h; | A 59% B n/a |
Conditions | Yield |
---|---|
With H8[PMo7V5O40]; oxygen In water at 90℃; under 15001.5 Torr; for 24h; Autoclave; | A 56% B 40% |
Conditions | Yield |
---|---|
at 20℃; for 6h; UV-irradiation; | 55% |
Conditions | Yield |
---|---|
sulfuric acid Heating; | 53% |
Conditions | Yield |
---|---|
for 24h; Reflux; | 100% |
for 6h; Reflux; | 100% |
With triethylamine In methanol at 100℃; for 16h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
for 12h; Reflux; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With sodium hydride | 100% |
With sodium hydride In tetrahydrofuran at 50℃; for 0.333333h; | 86% |
With sodium In ethanol at 0 - 40℃; | 78.7% |
Conditions | Yield |
---|---|
Stage #1: ethanolamine With sodium ethanolate at 20℃; for 0.5h; Stage #2: formic acid ethyl ester In ethanol for 1h; Heating; Further stages.; | 100% |
at 10 - 20℃; for 12h; | 100% |
99% |
chloroacetic acid ethyl ester
formic acid ethyl ester
ethyl 2-chloro-3-oxopropanoate
Conditions | Yield |
---|---|
With sodium ethanolate In tert-butyl methyl ether at 0 - 20℃; Inert atmosphere; Large scale; | 100% |
With sodium ethanolate In tert-butyl methyl ether at 0 - 20℃; Inert atmosphere; Large scale; | 100% |
With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 16h; Inert atmosphere; | 95% |
rac-methylbenzylamine
formic acid ethyl ester
N-formyl-α-methylbenzylamine
Conditions | Yield |
---|---|
for 8h; Reflux; | 100% |
With Novozyme 435 CALB In tetrahydrofuran at 20℃; Green chemistry; Enzymatic reaction; | 94% |
With 1-(3-sulfopropyl)pyridinium phosphotungstate In neat (no solvent) at 70℃; for 15h; Microwave irradiation; Sealed tube; Inert atmosphere; | 81% |
propan-1-ol-3-amine
formic acid ethyl ester
3-(N-formylamino)propan-1-ol
Conditions | Yield |
---|---|
100% | |
Reflux; | 100% |
at 50℃; for 2.25h; Cooling with ice; | 95% |
Conditions | Yield |
---|---|
for 20h; Inert atmosphere; Reflux; | 100% |
formic acid ethyl ester
succinic acid diethyl ester
diethyl 2-formylbutanedioate
Conditions | Yield |
---|---|
With sodium In diethyl ether at 40℃; for 5h; | 100% |
With sodium In diethyl ether at 40℃; for 5h; | 100% |
With sodium hydride In toluene at 20℃; for 16h; Reagent/catalyst; | 95.1% |
Conditions | Yield |
---|---|
at 60℃; for 6h; | 100% |
for 1h; Heating; | 86% |
at 0 - 20℃; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
Stage #1: 1-bromo-4-butene With magnesium In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: formic acid ethyl ester In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 100% |
Stage #1: 1-bromo-4-butene With iodine; magnesium In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: formic acid ethyl ester In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere; | 98% |
Stage #1: 1-bromo-4-butene With iodine; magnesium In tetrahydrofuran at 20℃; Inert atmosphere; Stage #2: formic acid ethyl ester In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
With Novozyme 435 CALB In tetrahydrofuran at 20℃; Green chemistry; Enzymatic reaction; | 98% |
With toluene-4-sulfonic acid |
(S)-1-phenyl-ethylamine
formic acid ethyl ester
(S)-N-formyl-1-phenylethylamine
Conditions | Yield |
---|---|
In toluene for 15h; Heating; | 100% |
With Novozyme 435 CALB In tetrahydrofuran at 20℃; Green chemistry; Enzymatic reaction; | 95% |
(R)-1-phenyl-ethyl-amine
formic acid ethyl ester
(R)-(+)-α-methylbenzyl formamide
Conditions | Yield |
---|---|
for 8h; Reflux; | 100% |
With amberlyst 15 In tetrahydrofuran for 21h; Reflux; Inert atmosphere; | 99% |
With Novozyme 435 CALB In tetrahydrofuran at 20℃; Green chemistry; Enzymatic reaction; | 92% |
4-butanolide
formic acid ethyl ester
sodium salt of (Z)-3-(hydroxymethylene)dihydro-2(3H)-furanone
Conditions | Yield |
---|---|
With sodium hydride | 100% |
With sodium In diethyl ether at -20 - -15℃; for 5h; |
4-butanolide
formic acid ethyl ester
sodium salt of (E)-3-(hydroxymethylene)dihydro-2(3H)-furanone
Conditions | Yield |
---|---|
With sodium hydride | 100% |
With ethanol; sodium hydride In 1,2-dimethoxyethane at 40℃; for 22h; cross-Claisen acylation; | 97% |
With sodium methylate In diethyl ether for 12h; | 69% |
With sodium hydroxide In 1,2-dimethoxyethane at 60℃; for 16h; | 66% |
Conditions | Yield |
---|---|
With sodium hydride | 100% |
(2-aminomethylpyridine)
formic acid ethyl ester
N-((pyridin-2-yl)methyl)formamide
Conditions | Yield |
---|---|
for 1.5h; Reflux; | 100% |
at 25℃; for 8h; |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; paraffin oil at 10 - 20℃; | 100% |
With sodium methylate In toluene for 24h; | 94% |
With ethanol; sodium hydride In diethyl ether; mineral oil at 20℃; | 92% |
2-(3,4-dimethoxyphenyl)-ethylamine
formic acid ethyl ester
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
Conditions | Yield |
---|---|
at 70℃; for 20h; | 100% |
at 70℃; | 100% |
Reflux; | 99% |
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
for 3h; Heating; | 97% |
Heating; | |
Reflux; | |
In ethanol at 90℃; for 9h; |
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
at 50℃; for 5h; | 84% |
With sodium carbonate In ethanol for 20h; Ambient temperature; | 59% |
2-(3-methoxyphenyl)-1-ethanamine
formic acid ethyl ester
N-[2-(3-methoxy-phenyl)-ethyl]-formamide
Conditions | Yield |
---|---|
In toluene for 6h; Heating; | 100% |
(S)-1-Pyrrolidin-2-yl-methanol
formic acid ethyl ester
(S)-(-)-1-Formyl-2-(hydroxymethyl)pyrrolidine
Conditions | Yield |
---|---|
at 50℃; | 100% |
5-methyl-2-hydroxyacetophenone
formic acid ethyl ester
2,3-dihydro-2-hydroxy-6-methyl-1-benzopyran-4-one
Conditions | Yield |
---|---|
With sodium methylate In tetrahydrofuran at 20℃; for 0.5h; | 100% |
With sodium In diethyl ether Heating; | 74% |
2-[4-(benzyloxy)-3-methoxyphenyl]ethylamine
formic acid ethyl ester
N-formyl-2-[3-methoxy-4-(benzyloxy)phenyl]ethylamine
Conditions | Yield |
---|---|
In tetrahydrofuran for 12h; Reflux; | 100% |
for 12h; Inert atmosphere; Reflux; | 95% |
for 1h; Heating; | 78% |
at 70 - 80℃; for 8h; | 50.72% |
(S)-valinol
formic acid ethyl ester
(S)-N-[1-(hydroxymethyl)-2-methylpropyl]formamide
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
Reflux; | 99% |
for 2h; Heating; | 95% |
Conditions | Yield |
---|---|
cerium (IV) sulfate; silica gel for 1h; Heating; | 100% |
1-dimethylamino-butan-2-one
formic acid ethyl ester
Conditions | Yield |
---|---|
With sodium hydride In toluene | 100% |
ethyl 2-fluoroacetate
formic acid ethyl ester
(1-ethoxy-2-fluoro-1,3-dioxopropan-2-yl) sodium
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether; ethanol; mineral oil at 20℃; Inert atmosphere; Cooling with ice; | 100% |
With sodium ethanolate In tetrahydrofuran at 0 - 20℃; | 94.7% |
With sodium hydride In diethyl ether for 2h; Ambient temperature; | |
With ethanol; sodium hydride In diethyl ether; mineral oil at 20℃; Inert atmosphere; Cooling with ice; |
The Ethyl formate, with the CAS registry number 109-94-4 and EINECS registry number 203-721-0, is a kind of colourless liquid with an aromatic odour. It is moisture sensitive ester, and belongs to the following product categories: Organics; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry. And the molecular formula of this chemical is C3H6O2.
The physical properties of Ethyl formate are as followings: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.63; (8)ACD/KOC (pH 7.4): 34.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.356; (14)Molar Refractivity: 17.87 cm3; (15)Molar Volume: 81.7 cm3; (16)Polarizability: 7.08×10-24cm3; (17)Surface Tension: 23.5 dyne/cm; (18)Density: 0.906 g/cm3; (19)Enthalpy of Vaporization: 29.91 kJ/mol; (20)Boiling Point: 54.7 °C at 760 mmHg; (21)Vapour Pressure: 242 mmHg at 25°C.
Preparation of Ethyl formate: It can start with esterification of formic acid and ethanol in the presence of catalyst sulphuric acid. And after neutralization and washing, you can get the product.
HCOOH + C2H5OH → HCOOC2H5 + H2O
Uses of Ethyl formate: It is an important intermediates in organic synthesis. It is usually used as the solution for nitro acetyl cellulose and marlspum, and bactericide, fumigant & larvicide for food. It is also used as essence.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates eyes and respiratory system, and it is also harmful by inhalation and if swallowed. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Avoid contact with skin; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: O=COCC
(2)InChI: InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
(3)InChIKey: WBJINCZRORDGAQ-UHFFFAOYAO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 1110mg/kg (1110mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: GASTRITIS | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rabbit | LD50 | oral | 2075mg/kg (2075mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rabbit | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 737, 1978. | |
rat | LCLo | inhalation | 8000ppm/4H (8000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | oral | 1850mg/kg (1850mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
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