- Ethyl 1-methylnipecotate
-
- $10.00 / 1kg
-
2024-04-02
- CAS:5166-67-6
- Min. Order: 1kg
- Purity: 99%
- Supply Ability: 5000 Metric Ton/Month
|
| | Ethyl 1-methylnipecotate Basic information |
| Product Name: | Ethyl 1-methylnipecotate | | Synonyms: | Ethyl 1-methylnipecotate, 98+%;1-Methyl-3-piperidinecarboxylic acid ethyl ester;ETHYL 1-METHYLPIPERIDINE-3-CARBOXYLATE;ETHYL 1-METHYLNIPECOTATE;ETHYL 1-METHYL-3-PIPERIDINE-CARBOXYLATE;Ethyl 1-methylpiperidine-3-carboxylate 97%;Ethyl N-Methyl piperidine-3-carboxylate or Ethyl 1-Methylnipecotate;Ethyl N-Methylpiperidine-3-carboxylate | | CAS: | 5166-67-6 | | MF: | C9H17NO2 | | MW: | 171.24 | | EINECS: | 225-951-0 | | Product Categories: | Heterocyclic Compounds | | Mol File: | 5166-67-6.mol |  |
| | Ethyl 1-methylnipecotate Chemical Properties |
| Boiling point | 88-89 °C/11 mmHg (lit.) | | density | 0.954 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.451(lit.) | | Fp | 155 °F | | storage temp. | Sealed in dry,Room Temperature | | pka | 8.56±0.10(Predicted) | | form | clear liquid | | color | Colorless to Almost colorless | | BRN | 123259 | | InChI | 1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3 | | InChIKey | VFJJNMLPRDRTCO-UHFFFAOYSA-N | | SMILES | CCOC(=O)C1CCCN(C)C1 | | CAS DataBase Reference | 5166-67-6(CAS DataBase Reference) | | NIST Chemistry Reference | Ethyl 1-methylnipecotate(5166-67-6) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39-37/39 | | WGK Germany | 3 | | F | 9-23 | | Hazard Note | Irritant | | HS Code | 29333990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Ethyl 1-methylnipecotate Usage And Synthesis |
| Chemical Properties | Clear colorless to pale yellow liquid | | Uses | Reactant for:
N-demethylation of tertiary amines
Reverse cope elimination reactions
Regioselective oxidation
Synthesis of chelating agents
Sequential Michael-Michael-Dieckmann cyclizations | | General Description | Enantiomeric discrimination has been investigated in 1H and 13C NMR spectra of ethyl 1-methyl-3-piperidinecarboxylate in the presence of (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid. | | Synthesis | The general procedure for the synthesis of ethyl 1-methyl-3-piperidinecarboxylate from triethyl orthoformate and ethyl crotonate is as follows: in an autoclave, a 1 molar concentration of catalyst based on the molar amount of amine is added, and after displacing the air in the autoclave with argon, 0.1 moles of amine and 0.11-0.3 moles of o-carboxylic acid ester dissolved in a 10 ml solution in methanol (or ethanol) are added, as well as 0.5 ml of 0.2 M anhydrous p-toluene benzenesulfonic acid solution in methanol (or ethanol). The reaction mixture was heated to 120°C and charged with hydrogen gas to a pressure of 40 bar. The reaction mixture was stirred continuously at a constant pressure until the absorption of hydrogen ceased (reaction time of about 0.2-6 hours). After completion of the reaction, the catalyst was removed by filtration and the filtrate was distilled to purify the target product. | | References | [1] Patent: WO2017/133913, 2017, A1. Location in patent: Page/Page column 9; 14 |
| | Ethyl 1-methylnipecotate Preparation Products And Raw materials |
|