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Ethyl cyclopropanecarboxylate

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Name

Ethyl cyclopropanecarboxylate

EINECS 225-010-4
CAS No. 4606-07-9 Density 1.063 g/cm3
PSA 26.30000 LogP 0.95950
Solubility Immiscible with water Melting Point N/A
Formula C6H10O2 Boiling Point 134 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 29.7 °C
Transport Information UN 3272 3/PG 2 Appearance clear pale yellow liquid
Safety 16 Risk Codes 11
Molecular Structure Molecular Structure of 4606-07-9 (Ethyl cyclopropanecarboxylate) Hazard Symbols FlammableF
Synonyms

Ethyl cyclopropylcarboxylate;NSC 60696;

Article Data 41

Ethyl cyclopropanecarboxylate Synthetic route

1759-53-1

cyclopropanecarboxylic acid

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
With sulfuric acid In ethanol98%
77100-87-9

ethyl α,γ-dichlorobutyrate

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
With tetraethylammonium tosylate In dimethyl sulfoxide electrolysis;82%
2969-81-5

4-bromoethylbutanoate

A

999-10-0

ethyl 4-hydroxybutanoate

B

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
With oxygen; tetraethylammonium perchlorate In N,N-dimethyl-formamide at 20℃; electroreduction at -1.1 V;A 10%
B 68%
629-05-0

n-octyne

7425-53-8

ethyl 4-iodobutyrate

A

4606-07-9

ethyl cyclopropylcarboxylate

B

C20H32O

Conditions
ConditionsYield
Stage #1: n-octyne With n-butyllithium In tetrahydrofuran at 20℃;
Stage #2: ethyl 4-iodobutyrate In tetrahydrofuran at 20℃;
A 9%
B 65%
3153-36-4

4-chloro-butyric acid ethyl ester

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
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.
58539-11-0

3-Bromo-2-bromomethyl-propionic acid ethyl ester

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
With ethanol; zinc
64-17-5

ethanol

4023-34-1

cyclopropanecarboxylic acid chloride

4606-07-9

ethyl cyclopropylcarboxylate

2969-81-5

4-bromoethylbutanoate

1655-07-8

ethyl 2-oxocyclohexane carboxylate

A

4606-07-9

ethyl cyclopropylcarboxylate

B

124355-49-3

ethyl 1-(3-(ethoxycarbonyl)propyl)-2-oxocyclohexanecarboxylate

Conditions
ConditionsYield
With sodium ethanolate
64-17-5

ethanol

1759-53-1

cyclopropanecarboxylic acid

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
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;
19999-37-2

Tosylat von 4-Aethoxy-butin-(3)-ol

4606-07-9

ethyl cyclopropylcarboxylate

Conditions
ConditionsYield
With pyridine In water; acetone at 55℃; for 120h;

Ethyl cyclopropanecarboxylate Specification

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

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