2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium

Base Information

• Chemical Name: 2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium
• CAS No.: 30727-18-5
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID60952955
• Wikidata: Q72476116
• Mol file: 30727-18-5.mol

Synonyms:DTXSID60952955;2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium

Chemical Property of 2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium

Chemical Property:

• Appearance/Colour: clear colorless to brown liquid
• Vapor Pressure: 0.457mmHg at 25°C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 211.1 °C at 760 mmHg
• PKA: 8.26±0.10(Predicted)
• Flash Point: 73.9 °C
• PSA: 29.54000
• Density: 0.997 g/cm³
• LogP: 0.97170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 172.133753817
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

EthylMethylpiperidine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCC[NH+]1C
• Isomeric SMILES: CCOC(=O)[C@H]1CCCC[NH+]1C
• Uses: Ethyl Methylpiperidine-2-carboxylate is used in the synthesis of indole analogues as CB1 cannabinoid receptor agonists. Also used in the synthesis of disubstituted thiadiazoles.

Technology Process of 2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium

There total 6 articles about 2-(Ethoxycarbonyl)-1-methylpiperidin-1-ium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethyl pipecolate (15862-72-3) → ethyl 1-methylpiperidine-2-carboxylate (30727-18-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; under 2585.7 Torr; Ambient temperature;

Reference yield:

ethyl-2-picolinate (2524-52-9,1228273-66-2) → ethyl 1-methylpiperidine-2-carboxylate (30727-18-5)

Guidance literature:

With acetic acid; platinum; under 62518.2 Torr; Hydrogenation_.Hydrieren der Reaktionsloesung an Palladium/Kohle unter Zusatz von wss. Formaldehyd;

DOI:10.1021/ja01135a034

Reference yield:

→ ethyl 1-methylpiperidine-2-carboxylate (30727-18-5)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01512a050

upstream raw materials:

ethyl-2-picolinate

1-methyl-2-ethoxycarbonylpyridinium iodide

formaldehyd

ethyl pipecolate

Downstream raw materials:

2-Benzyl-2-ethoxycarbonyl-1-methylpiperidine

2-Benzotriazol-1-yl-1-(1-methyl-piperidin-2-yl)-2-p-tolyl-ethanone

1-methyl-piperidine-2-carboxylic acid [1-(3,5-dichloro-2-hydroxy-phenyl)-methylidene]-hydrazide

N,N-Dimethyl-piperidinium-2-carbonsaeure-betain

Refernces