Products Categories
CAS No.: | 58012-34-3 |
---|---|
Name: | ethyl 4-oxocyclohexaneacetate |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C10H16O3 |
Molecular Weight: | 184.235 |
Synonyms: | Ethyl (4-oxocyclohexyl)acetate;Ethyl 2-(4-oxocyclohexyl)acetate;Ethyl 4-oxocyclohexaneacetate; |
Density: | 1.041 g/cm3 |
Boiling Point: | 265.477 °C at 760 mmHg |
Flash Point: | 111.754 °C |
PSA: | 43.37000 |
LogP: | 1.69890 |
ethyl 1,4-dioxaspiro[4.5]dec-8-ylacetate
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetone for 2h; Heating / reflux; | 94% |
With hydrogenchloride; water at 20℃; | 94% |
With hydrogenchloride; water In acetone for 2h; Product distribution / selectivity; Heating / reflux; | 94% |
2-(4-hydroxycyclohexyl)acetic acid ethyl ester
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
With sodium hypochlorite In acetic acid at 30℃; Product distribution / selectivity; | 92% |
(4-hydroxy-phenyl)-acetic acid ethyl ester
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In 1,4-dioxane at 90℃; | 70% |
(4-hydroxy-phenyl)-acetic acid ethyl ester
A
2-(4-hydroxycyclohexyl)acetic acid ethyl ester
B
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
In dichloromethane |
2,2,6,6-tetramethyl-piperidine-N-oxyl
A
C19H33NO3
B
C19H35NO5
C
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
With iron(II) bromide In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; |
cyclohexanedione monoethylene ketal
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C 1.2: 1 h / 0 °C 2.1: hydrogen / palladium 10% on activated carbon / ethyl acetate / 3 h / 20 °C / 760.05 Torr 3.1: formic acid / water / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C 1.2: 3.17 h / 0 °C 2.1: palladium 10% on activated carbon; hydrogen / methanol / 3 h / 1810.07 Torr 3.1: hydrogenchloride / water; acetonitrile / 2 h / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C 1.2: 0 - 20 °C 2.1: palladium on activated charcoal; hydrogen / methanol / 3 h / 20 °C 3.1: hydrogenchloride / water / 70 °C View Scheme |
ethyl 1,4-dioxaspiro[4,5]dec-8-ylideneacetate
ethyl 4-oxocyclohexaneacetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen / palladium 10% on activated carbon / ethyl acetate / 3 h / 20 °C / 760.05 Torr 2: formic acid / water / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / methanol / 3 h / 1810.07 Torr 2: hydrogenchloride / water; acetonitrile / 2 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: palladium on activated charcoal; hydrogen / methanol / 3 h / 20 °C 2: hydrogenchloride / water / 70 °C View Scheme |
ethyl 4-oxocyclohexaneacetate
ethyl 2-cyanoacetate
ethyl 2-amino-6-(2-ethoxy-2-oxoethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Conditions | Yield |
---|---|
With morpholine; disulfur In ethanol at 20℃; for 72h; | 100% |
ethyl 4-oxocyclohexaneacetate
2-(4-hydroxycyclohexyl)acetic acid ethyl ester
Conditions | Yield |
---|---|
With methanol; sodium tetrahydroborate at 20℃; for 13h; | 99% |
With sodium tetrahydroborate In methanol at 20℃; for 13h; | 99% |
With sodium tetrahydroborate; ethanol In ethanol at 0℃; for 2h; Inert atmosphere; | 92% |
With methanol; sodium tetrahydroborate at 0℃; for 2h; |
ethyl 4-oxocyclohexaneacetate
ethyl-1,2,3,4-tetrahydro-1H-carbazol-3-yl acetate
Conditions | Yield |
---|---|
90% |
What can I do for you?
Get Best Price
The 4-Oxocyclohexaneacetic acid ethyl ester, with the CAS registry number 58012-34-3, is also known as Ethyl 2-(4-oxocyclohexyl)acetate. This chemical's molecular formula is C10H16O3 and molecular weight is 184.23. What's more, its systematic name is Ethyl (4-oxocyclohexyl)acetate.
Physical properties of 4-Oxocyclohexaneacetic acid ethyl ester are: (1)ACD/LogP: 1.064; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.79; (6)ACD/BCF (pH 7.4): 3.79; (7)ACD/KOC (pH 5.5): 90.35; (8)ACD/KOC (pH 7.4): 90.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 48.168 cm3; (15)Molar Volume: 177.019 cm3; (16)Polarizability: 19.095×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 111.754 °C; (20)Enthalpy of Vaporization: 50.341 kJ/mol; (21)Boiling Point: 265.477 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1CCC(=O)CC1)OCC
(2)Std. InChI: InChI=1S/C10H16O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8H,2-7H2,1H3
(3)Std. InChIKey: XHNJFNLTFMAPQB-UHFFFAOYSA-N