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CAS No.: | 59184-90-6 |
---|---|
Name: | 2-(PIPERIDIN-4-YL)-ACETIC ACID ETHYL ESTER |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C9H17NO2 |
Molecular Weight: | 171.239 |
Synonyms: | 2-(Piperidin-4-yl)aceticacid ethyl ester;4-(Ethoxycarbonylmethyl)piperidine;Ethyl2-(piperidin-4-yl)acetate;Ethyl 4-piperidineacetate;Ethyl4-piperidinylacetate;Piperidin-4-ylacetic acid ethyl ester; |
Density: | 0.969 g/cm3 |
Melting Point: | 192 °C (decomp) |
Boiling Point: | 232.8 °C at 760 mmHg |
Flash Point: | 94.6 °C |
Hazard Symbols: | Xi |
PSA: | 38.33000 |
LogP: | 1.26800 |
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This chemical is called Ethyl piperidin-4-ylacetate, and its CAS registry number is 59184-90-6. With the molecular formula of C9H17NO2, its molecular weight is 171.24. Additionally, its product category is Piperidine.
Other characteristics of the Ethyl piperidin-4-ylacetate can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.91; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 46.77 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 18.54×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.969 g/cm3; (19)Flash Point: 94.6 °C; (20)Enthalpy of Vaporization: 46.95 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0577 mmHg at 25°C.
Production method of this chemical: The Ethyl piperidin-4-ylacetate could be obtained by the reactant of 4-ethoxycarbonylmethylene-piperidine-1-carboxylic acid phenyl ester. This reaction needs the reagent of H2, and the solvent of methanol. The yield is 95 %. In addition, this reaction should be taken for 45 minutes.
Uses of this chemical: The Ethyl piperidin-4-ylacetate could react with benzaldehyde, and obtain the (1-benzyl-piperidin-4-yl)-acetic acid ethyl ester. This reaction needs the reagent of titanium(IV) iso-propoxide, NaBH3CN, and the solvent of ethanol. The yield is 76 %. In addition, this reaction should be taken for 1 hour.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CC1CCNCC1
2.InChI: InChI=1/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
3.InChIKey: IHSUFLCKRIHFGY-UHFFFAOYAN