Conditions | Yield |
---|---|
With Candida antarctica lipase B at 20℃; for 36h; Enzymatic reaction; | 97% |
at 105℃; for 3h; Temperature; Molecular sieve; | 97.4% |
F-4SK (H form) In tetrachloromethane at 80℃; for 5h; | 95% |
Conditions | Yield |
---|---|
With thionyl chloride In ethanol; dichloromethane for 0.583333h; Cooling with ice; | 83% |
glycine ethyl ester hydrochloride
chloroacetyl chloride
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; toluene at 20℃; for 13h; Cooling with ice; | 80% |
Conditions | Yield |
---|---|
With tertiary butyl chloride; [HB(3,5-(CF3)2Pz)3]Ag(THF) | 73% |
With hydrogenchloride | |
With hydrogenchloride; diethyl ether |
Conditions | Yield |
---|---|
sulfuric acid In ethanol Heating; | 66% |
Conditions | Yield |
---|---|
With potassium bromate; hydrogenchloride In N,N-dimethyl-formamide at 20℃; for 12h; | 63% |
diazoacetic acid ethyl ester
A
chloroacetic acid ethyl ester
B
but-2-enedioic acid diethyl ester
Conditions | Yield |
---|---|
With tertiary butyl chloride; bis(μ2-2,2,2',2'-tetramethyl-1,3-benzene-di(propanoato-O,O'))rhodium-bismuth at 39.84℃; for 2h; Inert atmosphere; | A 46% B n/a |
diazoacetic acid ethyl ester
phenylacetonitrile
A
2-benzyl-5-ethoxy-1,3-oxazole
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
aluminium trichloride In neat (no solvent) at 25℃; | A 31% B n/a |
4-chloro-5-methyl-isoxazole
ethanol
A
ethyl acetate
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With pyridine for 5h; Heating; | A n/a B 25% |
diazoacetic acid ethyl ester
tertiary butyl chloride
A
2-chloro-3,3-dimethyl-butyric acid ethyl ester
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
Photolysis; | |
Irradiation.mit UV-Licht; |
diazoacetic acid ethyl ester
A
bis-(ethoxycarbonyl-chloro-chloromercurio-methyl)-mercury
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With mercury dichloride at 0℃; |
methanol
(E)-1,2-dichloro-1-ethoxy-ethene
A
methyl chloroacetate
B
chloroacetic acid ethyl ester
tetrachloromethane
N-chloro-succinimide
ketene diethyl acetal
A
ethene
B
chloroacetic acid ethyl ester
diethyl ether
chloro-acetyl iodide
A
ethyl iodide
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
at 25℃; | |
at 25℃; bei mehrtaegiger Einw. unter Lichtausschuss; reagiert analog mit Methylbutylaether; |
Conditions | Yield |
---|---|
at 25℃; unter Ausschluss von Licht; |
ethanol
1-ethoxy-2,2-dichloro-ethanol
potassium cyanide
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
at 20℃; |
Conditions | Yield |
---|---|
zweckmaessig in Gegenwart von Katalysatoren; |
ethanol
N-acetyl-2-chloroacetamide
A
ethyl acetate
B
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
Product distribution; im Verhaeltnis 99:1; |
ethanol
chloroacetyl-propionyl-amine
A
Ethyl propionate
B
chloroacetic acid ethyl ester
ethanol
dichlorodiacetamide
A
chloroacetic acid ethyl ester
B
Chloroacetamide
ethanol
N-(2-chloroethanoyl)benzamide
A
benzoic acid ethyl ester
B
chloroacetic acid ethyl ester
ethanol
3-(2-amino-4-methyl-anilino)-2-chloro-crotonic acid ethyl ester
A
2,5-dimethylbenzimidazole
B
chloroacetic acid ethyl ester
(E)-1,2-dichloro-1-ethoxy-ethene
i-Amyl alcohol
A
3-methylbutyl chloroacetate
B
chloroacetic acid ethyl ester
(E)-1,2-dichloro-1-ethoxy-ethene
n-heptan1ol
A
heptyl 2-chloroacetate
B
chloroacetic acid ethyl ester
1-ethoxy-2,2-dichloro-ethanol
potassium cyanide
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With ethanol at 20℃; |
(E)-1,2-dichloro-1-ethoxy-ethene
succinic acid
A
succinic acid anhydride
B
chloroacetic acid ethyl ester
(E)-1,2-dichloro-1-ethoxy-ethene
menthol
A
2-isopropyl-5-methylcyclohexyl chloroethanoate
B
chloroacetic acid ethyl ester
(E)-1,2-dichloro-1-ethoxy-ethene
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With alcohols | |
With mono-basic organic acids | |
With oxalic acid |
3,4-dichlorophenol
chloroacetic acid ethyl ester
ethyl 2-(3,4-dichlorophenoxy)acetate
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 80℃; for 18h; | 100% |
With ethanol; sodium ethanolate |
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% |
chloroacetic acid ethyl ester
acetic acid ethylester sulfonic acid
Conditions | Yield |
---|---|
With sodium sulfate In ethanol; water | 100% |
With potassium sulfite; ethanol |
diphenyl diselenide
chloroacetic acid ethyl ester
ethyl 2-(phenylselanyl)acetate
Conditions | Yield |
---|---|
Stage #1: diphenyl diselenide With sodium tetrahydroborate In ethanol at 0℃; for 0.166667h; Inert atmosphere; Stage #2: chloroacetic acid ethyl ester In ethanol for 1h; Inert atmosphere; | 100% |
Stage #1: diphenyl diselenide With sodium tetrahydroborate; ethanol at 0 - 25℃; for 1h; Stage #2: chloroacetic acid ethyl ester at 25℃; for 2h; | 98% |
Stage #1: diphenyl diselenide With sodium tetrahydroborate In ethanol for 0.166667h; Stage #2: chloroacetic acid ethyl ester In ethanol at 50 - 55℃; for 0.75h; | 94% |
chloroacetic acid ethyl ester
E-3-m-hydroxystyrylpyridine
1-Ethoxycarbonylmethyl-4-[(E)-2-(3-hydroxy-phenyl)-vinyl]-pyridinium; chloride
Conditions | Yield |
---|---|
In ethanol for 10h; Heating; | 100% |
chloroacetic acid ethyl ester
1-<2,6-bis(benzyloxy)-4-hydroxyphenyl>-3-<3-(benzyloxy)-4-methoxyphenyl>propane
1-<2,6-bis(benzyloxy)-4-(carbethoxymethoxy)phenyl>-3-(3-hydroxy-4-methoxyphenyl)propane
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 22h; | 100% |
chloroacetic acid ethyl ester
2,3',6-tris(benzyloxy)-4-hydroxy-4'-methoxydihydrochalcone
2,3',6-tris(benzyloxy)-4-(carbethoxymethoxy)-4'-methoxydihydrochalcone
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 40 - 65℃; for 19h; | 100% |
chloroacetic acid ethyl ester
ethyl 2-(4-bromo-2-chlorophenoxy)acetate
Conditions | Yield |
---|---|
Stage #1: 4-bromo-2-chlorophenol With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1h; Stage #2: chloroacetic acid ethyl ester In N,N-dimethyl-formamide at 20℃; | 100% |
4-adamantylphenol
chloroacetic acid ethyl ester
(4-adamantyl-1-yl-phenoxy) acetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 94.6% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere; | 94.6% |
3-fluorophenol
chloroacetic acid ethyl ester
(3-fluoro-phenoxy)-acetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Heating / reflux; | 100% |
With potassium carbonate In acetone for 8h; Reflux; | 70% |
With potassium carbonate In acetonitrile for 2h; Reflux; |
chloroacetic acid ethyl ester
methyl salicylate
methyl 2-(2-ethoxy-2-oxoethoxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 30 - 65℃; for 18h; | 100% |
With potassium carbonate In acetone for 11h; Reflux; | 94% |
With potassium iodide; potassium carbonate In acetonitrile | |
With potassium carbonate In N,N-dimethyl-formamide at 65 - 75℃; |
1-(5-fluoro-2-hydroxyphenyl)ethan-1-one
chloroacetic acid ethyl ester
(2-acetyl-4-fluorophenoxy)acetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 16h; Reflux; Inert atmosphere; | 100% |
4-bromo-2-chlorophenol
chloroacetic acid ethyl ester
ethyl 2-(4-bromo-2-chlorophenoxy)acetate
Conditions | Yield |
---|---|
Stage #1: 4-bromo-2-chlorophenol; chloroacetic acid ethyl ester With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere; Stage #2: chloroacetic acid ethyl ester In N,N-dimethyl-formamide at 20℃; | 100% |
7-hydroxy-8-methyl-4-phenyl-chromen-2-one
chloroacetic acid ethyl ester
ethyl (8-methyl-4-phenyl-2H-1-benzopyran-2-on-7-yloxy)-acetate
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Reflux; | 100% |
With potassium carbonate In acetone for 6h; Reflux; | 96.94% |
5-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
chloroacetic acid ethyl ester
ethyl [3-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 6.5h; | 100% |
With potassium carbonate In acetonitrile at 80℃; for 6.5h; | 100% |
With potassium carbonate In acetonitrile at 80℃; for 6.5h; | 100% |
(1S,2R)-1-amino-2-indanol
chloroacetic acid ethyl ester
indeno[2,1-b]-1,4-oxazin-3(2H)-one,4,4a,9,9a-tetrahydro-,(4aR,9aS)-
Conditions | Yield |
---|---|
Stage #1: (1S,2R)-1-amino-2-indanol With sodium hydride In tetrahydrofuran at 0 - 70℃; for 0.666667h; Stage #2: chloroacetic acid ethyl ester In tetrahydrofuran for 2.5h; Heating / reflux; | 100% |
With sodium hydride In tetrahydrofuran | 85% |
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile for 18h; Reflux; | 100% |
Stage #1: bis[(2-pyridyl)methyl]amine With sodium hydrogencarbonate In acetonitrile for 0.166667h; Stage #2: chloroacetic acid ethyl ester In acetonitrile for 5h; Reflux; Inert atmosphere; | |
With triethylamine In ethanol for 12h; Reflux; |
chloroacetic acid ethyl ester
2-methoxyethyl isothiocyanate
4-aminoethylbenzene
Conditions | Yield |
---|---|
Stage #1: 2-methoxyethyl isothiocyanate; 4-aminoethylbenzene In ethanol at 78℃; for 12h; Knoevenagel Condensation; Stage #2: chloroacetic acid ethyl ester With sodium acetate In ethanol at 78℃; for 5h; regioselective reaction; | 100% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 16h; Reflux; Inert atmosphere; | 100% |
3-mercapto-5H-1,2,4-triazino[5,6-b]indole
chloroacetic acid ethyl ester
ethyl ester of (1,2,4-triazino[5,6-b]indolyl-3-thio)acetic acid
Conditions | Yield |
---|---|
With sodium In methanol; N,N-dimethyl-formamide at 60 - 100℃; for 15h; Alkylation; | 99.5% |
Stage #1: 3-mercapto-5H-1,2,4-triazino[5,6-b]indole With potassium carbonate microwave irradiation; Stage #2: chloroacetic acid ethyl ester for 0.0416667h; microwave irradiation; | 89% |
4-bromo-phenol
chloroacetic acid ethyl ester
ethyl 2-(4-bromophenoxy)acetate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; | 99.3% |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4h; | 99% |
With potassium carbonate In acetone Reflux; | 87% |
Conditions | Yield |
---|---|
at -5 - 20℃; for 2h; Inert atmosphere; | 99.3% |
4-Iodophenol
chloroacetic acid ethyl ester
4-iodophenoxyacetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Schlenk technique; | 99% |
With potassium carbonate In N,N-dimethyl-formamide for 16h; | 98% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 96% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; |
bis(triphenylphosphineiminium) pentacarbonylmanganate(1-)
chloroacetic acid ethyl ester
A
dimanganese decacarbonyl
B
pentacarbonylchloromanganese(I)
Conditions | Yield |
---|---|
In tetrahydrofuran (N2 or Ar); 25°C, rapid mixing; determination by NMR; | A 1% B 0% C 99% |
In chloroform-d1 (N2 or Ar); 25°C, rapid mixing; determination by NMR; | A 1% B 0% C 99% |
6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3(2H)-thione
chloroacetic acid ethyl ester
ethyl-2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)acetate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 20℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With sodium iodide In acetone at 20℃; for 18h; | 99% |
Conditions | Yield |
---|---|
With sodium In ethanol at 20℃; for 4h; | 99% |
piperidine-4,4-diol hydrochloride
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 75℃; | 99% |
1-(tert-butyldimethylsilyl)-4-(4',4',5',5'-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol
chloroacetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 115℃; for 2h; | 99% |
2,3-dimethoxyphenol
chloroacetic acid ethyl ester
ethyl (2,3-dimethoxyphenoxy)acetate
Conditions | Yield |
---|---|
Stage #1: 2,3-dimethoxyphenol With sodium hydride In tetrahydrofuran; dimethyl sulfoxide at 0℃; for 0.5h; Inert atmosphere; Stage #2: chloroacetic acid ethyl ester In tetrahydrofuran; dimethyl sulfoxide at 20℃; for 15h; Inert atmosphere; | 98.8% |
Reported in EPA TSCA Inventory.
DOT Classification: 6.1; Label: Poison
The CAS registry number of Ethyl chloracetate is 105-39-5. Its EINECS registry number is 203-294-0. The IUPAC name is ethyl 2-chloroacetate. In addition, the molecular formula is C4H7ClO2. What's more, it is a kind of colourless liquid and can be used as a pharmaceutical intermediate. It is incompatible with acids, bases, oxidizing agents and reducing agents.
Physical properties about this chemical are: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 3.05; (5)ACD/BCF (pH 7.4): 3.05; (6)ACD/KOC (pH 5.5): 77.3; (7)ACD/KOC (pH 7.4): 77.3; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.411; (12)Molar Refractivity: 27.2 cm3; (13)Molar Volume: 109.4 cm3; (14)Polarizability: 10.78 ×10-24cm3; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 65.6 °C; (18)Enthalpy of Vaporization: 40.43 kJ/mol; (19)Boiling Point: 147.6 °C at 760 mmHg; (20)Vapour Pressure: 4.39 mmHg at 25°C.
Preparation of Ethyl chloracetate: it can be prepared by chloroacetic acid and ethanol. This reaction will need reagents P2O5, CuSO4 and Na2SO4. The reaction time is 2 hours by heating. The yield is about 45%.
Uses of Ethyl chloracetate: it can react with 1-(N-phenylamino)-3-butoxypropane-2-thiol to get (1-butoxymethyl-2-phenylamino-ethylsulfanyl)-acetic acid ethyl ester. This reaction will need reagent NaOH and solvent H2O. The reaction time is 1 hours at reaction temperature of 30-40 °C. The yield is about 32%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. And it is toxic by inhalation, in contact with skin and if swallowed. Moreover, it is very toxic to aquatic organisms. During using it, you should keep away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should avoid release to the environment and you can refer to special instructions/safety data sheets. Besides, keep container tightly closed and in a well-ventilated place after using it.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)OCC
(2)InChI: InChI=1/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
(3)InChIKey: VEUUMBGHMNQHGO-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 350mg/kg (350mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986. | |
mouse | LD50 | subcutaneous | 250mg/kg (250mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954. |
rabbit | LD50 | skin | 230mg/kg (230mg/kg) | Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977. | |
rat | LC50 | inhalation | 3330uL/m3/4H (3.33mL/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993. |
rat | LD50 | oral | 180mg/kg (180mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993. |
rat | LD50 | skin | 161mg/kg (161mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993. |
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