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CAS No.: | 4606-07-9 |
---|---|
Name: | Ethyl cyclopropanecarboxylate |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C6H10O2 |
Molecular Weight: | 114.144 |
Synonyms: | Ethyl cyclopropylcarboxylate;NSC 60696; |
EINECS: | 225-010-4 |
Density: | 1.063 g/cm3 |
Boiling Point: | 134 °C at 760 mmHg |
Flash Point: | 29.7 °C |
Solubility: | Immiscible with water |
Appearance: | clear pale yellow liquid |
Hazard Symbols: | F |
Risk Codes: | 11 |
Safety: | 16 |
Transport Information: | UN 3272 3/PG 2 |
PSA: | 26.30000 |
LogP: | 0.95950 |
Conditions | Yield |
---|---|
With sulfuric acid In ethanol | 98% |
ethyl α,γ-dichlorobutyrate
ethyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
With tetraethylammonium tosylate In dimethyl sulfoxide electrolysis; | 82% |
4-bromoethylbutanoate
A
ethyl 4-hydroxybutanoate
B
ethyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
With oxygen; tetraethylammonium perchlorate In N,N-dimethyl-formamide at 20℃; electroreduction at -1.1 V; | A 10% B 68% |
Conditions | Yield |
---|---|
Stage #1: n-octyne With n-butyllithium In tetrahydrofuran at 20℃; Stage #2: ethyl 4-iodobutyrate In tetrahydrofuran at 20℃; | A 9% B 65% |
Conditions | Yield |
---|---|
With sodium tert-pentoxide; benzene | |
With sodium tert-pentoxide In benzene | |
With N-(diphenylmethylidene)phenylamine at -78℃; | |
With copper(I) oxide; Cyclohexyl isocyanide | |
With potassium hydroxide; tetrabutylammomium bromide In toluene at 40℃; for 2h; | 91 % Chromat. |
3-Bromo-2-bromomethyl-propionic acid ethyl ester
ethyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
With ethanol; zinc |
4-bromoethylbutanoate
ethyl 2-oxocyclohexane carboxylate
A
ethyl cyclopropylcarboxylate
B
ethyl 1-(3-(ethoxycarbonyl)propyl)-2-oxocyclohexanecarboxylate
Conditions | Yield |
---|---|
With sodium ethanolate |
Conditions | Yield |
---|---|
With sulfuric acid | |
With ε-caprolactam methyl sulfonate at 30℃; for 8h; chemoselective reaction; | 87 %Chromat. |
With quaternary ammonium salt functionalized methoxypolyethylene glycols-supported phosphotungstic acid catalyst at 50℃; for 3h; | |
With thionyl chloride Reflux; | |
With sulfuric acid for 12h; Inert atmosphere; Reflux; |
Tosylat von 4-Aethoxy-butin-(3)-ol
ethyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
With pyridine In water; acetone at 55℃; for 120h; |
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The CAS register number of Cyclopropanecarboxylicacid, ethyl ester is 4606-07-9. It also can be called as Ethylcyclopropanecarboxylate and the IUPAC name about this chemical is ethyl cyclopropanecarboxylate. The molecular formula about this chemical is C6H10O2 and the molecular weight is 114.14. It belongs to the following product categories, such as Cyclopropanes; Simple 3-Membered Ring Compounds; C6 to C7; Carbonyl Compounds; Esters and so on. This chemical is highly flammable. When you are using it, please keep away from sources of ignition.
Physical properties about Cyclopropanecarboxylicacid, ethyl ester are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.86; (5)ACD/BCF (pH 7.4): 3.86; (6)ACD/KOC (pH 5.5): 91.59; (7)ACD/KOC (pH 7.4): 91.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 29.41 cm3; (13)Molar Volume: 107.3 cm3; (14)Polarizability: 11.66x10-24cm3; (15)Surface Tension: 36.6 dyne/cm; (16)Enthalpy of Vaporization: 37.15 kJ/mol; (17)Boiling Point: 134 °C at 760 mmHg; (18)Vapour Pressure: 8.25 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4-dichloro-butyric acid ethyl ester. This reaction will need reagent Et4NO3SC6H4Me-p and solvent dimethylsulfoξde. The reaction needs electrolysis. The yield is about 82% .
Uses of Cyclopropanecarboxylicacid, ethyl ester: it can be used to produce cyclopropanecarbohydroxamic acid. This reaction will need reagent sodium methylate and hydroxylamine.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CC1
(2)InChI: InChI=1/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3
(3)InChIKey: LDDOSDVZPSGLFZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3
(5)Std. InChIKey: LDDOSDVZPSGLFZ-UHFFFAOYSA-N