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CAS No.: | 67686-05-9 |
---|---|
Name: | 1-Methyl-4-piperidineacetic acid ethyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H19NO2 |
Molecular Weight: | 185.2634 |
Synonyms: | 4-Piperidineacetic acid, 1-methyl-, ethyl ester; |
Density: | 0.967 g/cm3 |
Boiling Point: | 230.4 °C at 760 mmHg |
Flash Point: | 86.4 °C |
PSA: | 29.54000 |
LogP: | 1.21930 |
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The 1-Methyl-4-piperidineacetic acid ethyl ester, with the CAS registry number 67686-05-9, is also known as 4-Piperidineacetic acid, 1-methyl-, ethyl ester. This chemical's molecular formula is C10H19NO2 and molecular weight is 185.2634. What's more, its systematic name is called Ethyl (1-methylpiperidin-4-yl)acetate.
Physical properties about this chemical are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.452; (8)Molar Refractivity: 51.7 cm3; (9)Molar Volume: 191.5 cm3; (10)Polarizability: 20.49×10-24 cm3; (11)Surface Tension: 30.6 dyne/cm; (12)Density: 0.967 g/cm3; (13)Flash Point: 86.4 °C; (14)Enthalpy of Vaporization: 46.71 kJ/mol; (15)Boiling Point: 230.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0658 mmHg at 25 °C.
Preparation of 1-Methyl-4-piperidineacetic acid ethyl ester: this chemical can be prepared by (1-Methyl-piperidin-4-ylidene)-acetic acid ethyl ester.
This reaction needs reagent H2 and solvent Ethanol. The reaction also needs catalyst 10 percent Pd/C. This reaction will occur at ambient temperature. The yield is 90%.
Uses of 1-Methyl-4-piperidineacetic acid ethyl ester: it is used to produce other chemicals. For example, it is used to produce N-(3,4-Dimethoxy-phenethyl)-2-(1-methyl-piperidin-4-yl)-acetamide.
The reaction needs reagent 2-Hydroxypyridine. The yield is 77 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1CCN(C)CC1
(2) InChI: InChI=1/C10H19NO2/c1-3-13-10(12)8-9-4-6-11(2)7-5-9/h9H,3-8H2,1-2H3
(3) InChIKey: ZUFWZYDSNSUYDS-UHFFFAOYAB