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59184-90-6

Basic Information
CAS No.: 59184-90-6
Name: 4-Piperidineacetic acid, ethyl ester
Article Data: 32
Cas Database
Molecular Structure:
Molecular Structure of 59184-90-6 (4-Piperidineacetic acid, ethyl ester)
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;
EINECS: N/A
Density: 0.969 g/cm3
Melting Point: 192 °C (decomp)
Boiling Point: 232.8 °C at 760 mmHg
Flash Point: 94.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 38.33000
LogP: 1.26800
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    59184-90-6

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  • Ethyl 2-(4-piperidinyl)acetate

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    Ethyl 2-(4-piperidinyl)acetate

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  • Ethyl 2-piperidin-4-ylacetate

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    59184-90-6

    Ethyl 2-piperidin-4-ylacetate

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Specification

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