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| CAS No.: | 77034-33-4 |
|---|---|
| Name: | Ethyl piperidine-2-carboxylate hydrochloride |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H15NO2.HCl |
| Molecular Weight: | 193.674 |
| Synonyms: | 2-Piperidinecarboxylic acid, ethyl ester, hydrochloride (9CI);Ethyl 2-piperidinecarboxylate hydrochloride;Ethyl pipecolate hydrochloride;Ethyl pipecolinate hydrochloride;Ethyl piperidine-2-carboxylate hydrochloride; |
| EINECS: | 203-126-8 |
| Melting Point: | 211-213 °C |
| Boiling Point: | 254 °C at 760 mmHg |
| Flash Point: | 107.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-36/39 |
| PSA: | 38.33000 |
| LogP: | 1.82240 |
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Specification
The Ethyl piperidine-2-carboxylate hydrochloride, with the CAS registry number 77034-33-4, is also known as Ethyl pipecolate hydrochloride. This chemical's molecular formula is C8H15NO2.HCl and molecular weight is 193.67. What's more, its systematic name is Ethyl 2-piperidinecarboxylate hydrochloride (1:1). This chemical is used as pharmaceutical Intermediates.
Physical properties of Ethyl piperidine-2-carboxylate hydrochloride are: (1)ACD/LogP: 0.992; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 1.00; (6)ACD/KOC (pH 7.4): 1.00; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å2; (11)Flash Point: 107.4 °C; (12)Enthalpy of Vaporization: 50.13 kJ/mol; (13)Boiling Point: 254 °C at 760 mmHg; (14)Vapour Pressure: 0.014 mmHg at 25°C.
Preparation of Ethyl piperidine-2-carboxylate hydrochloride: this chemical can be prepared by piperidine-2-carboxylic acid and ethanol at the ambient temperature. This reaction will need reagent HCl with the reaction time of 24 hours. The yield is about 99%.
Uses of Ethyl piperidine-2-carboxylate hydrochloride: it can be used to produce 3-(2-Carbethoxy-piperidino)-propionitril at the temperature of 60 - 70 °C. It will need reagent aq. KOH with the reaction time of 1 hour. The yield is about 58%.
When you are using this chemical, please be cautious about it as the following:
This chemical has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC)C1CCCCN1
(2)Std. InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-5-3-4-6-9-7;/h7,9H,2-6H2,1H3;1H
(3)Std. InChIKey: KGAWPIXNSIYQPC-UHFFFAOYSA-N