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CAS No.: | 32559-18-5 |
---|---|
Name: | METHYL PIPECOLINATE HYDROCHLORIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H13NO2.HCl |
Molecular Weight: | 179.647 |
Synonyms: | 2-Piperidinecarboxylicacid, methyl ester, hydrochloride (9CI);Pipecolic acid, methyl ester, hydrochloride(8CI);Methyl 2-piperidinecarboxylate hydrochloride;Methyl pipecolatehydrochloride;Methyl pipecolinate hydrochloride; |
EINECS: | 203-105-6 |
Melting Point: | 205 °C (dec.)(lit.) |
Boiling Point: | 235.3 °C at 760 mmHg |
Flash Point: | 96.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 38.33000 |
LogP: | 1.43230 |
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The CAS register number of 2-Piperidinecarboxylicacid, methyl ester, hydrochloride (1:1) is 32559-18-5. It also can be called as Methyl Piperidine-2-carboxylate hydrochloride and the systematic name about this chemical is methyl piperidine-2-carboxylate hydrochloride (1:1). The molecular formula about this chemical is C7H13NO2.HCl and the molecular weight is 179.64. It belongs to the following product categories which include Building Blocks; Heterocyclic Building Blocks; Piperidines and so on.
Physical properties about 2-Piperidinecarboxylicacid, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.46; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.33Å2; (10)Flash Point: 96.1 °C; (11)Enthalpy of Vaporization: 48.16 kJ/mol; (12)Boiling Point: 235.3 °C at 760 mmHg; (13)Vapour Pressure: 0.0408 mmHg at 25°C.
Preparation: this chemical can be prepared by piperidine-2-carboxylic acid and methanol. This reaction will need reagent SOCl2. The yield is about 97%.
Uses of 2-Piperidinecarboxylicacid, methyl ester, hydrochloride (1:1): it can be used to produce N-acetyl-2-carbomethoxypiperidine with acetic acid anhydride at temperature of 21 °C. This reaction will need reagent K2CO3 and solvent ethyl acetate with reaction time of 24 hours. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)C1CCCCN1
(2)InChI: InChI=1/C7H13NO2.ClH/c1-10-7(9)6-4-2-3-5-8-6;/h6,8H,2-5H2,1H3;1H
(3)InChIKey: APCHKWZTSCBBJX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-2-3-5-8-6;/h6,8H,2-5H2,1H3;1H
(5)Std. InChIKey: APCHKWZTSCBBJX-UHFFFAOYSA-N