1-(2,2-Diethoxyethyl)piperidine

Base Information

• Chemical Name: 1-(2,2-Diethoxyethyl)piperidine
• CAS No.: 3616-58-8
• Molecular Formula: C11H23NO2
• Molecular Weight: 201.309
• Hs Code.: 2933399090
• European Community (EC) Number: 222-802-1
• NSC Number: 66158
• UNII: FC7DV8275S
• DSSTox Substance ID: DTXSID40189727
• Nikkaji Number: J77.330A
• Wikidata: Q83061929
• Mol file: 3616-58-8.mol

Synonyms:1-(2,2-Diethoxyethyl)piperidine;3616-58-8;N-(2,2-Diethoxyethyl)piperidine;1-Piperidineacetaldehyde diethyl acetal;Piperidinoacetal;EINECS 222-802-1;Piperidine, 1-(2,2-diethoxyethyl)-;1-Piperidineacetaldehyde, diethyl acetal;NSC 66158;BRN 0109383;FC7DV8275S;Piperidine, 1-(2,2-diethoxyethyl)- (9CI);NSC-66158;4-20-00-00865 (Beilstein Handbook Reference);1,1-diethoxy-2-piperidylethane;NSC66158;UNII-FC7DV8275S;Oprea1_220932;SCHEMBL1637997;DTXSID40189727;1-Piperidineacetaldehydediethylacetal;1-(2,2-Diethoxyethyl)piperidine #;MFCD00006505;AKOS005228564;CS-W015548;SB43140;AS-60496;LS-113878;FT-0608270

Chemical Property of 1-(2,2-Diethoxyethyl)piperidine

Chemical Property:

• Vapor Pressure: 0.116mmHg at 25°C
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 220 °C at 760 mmHg
• PKA: 8.09±0.10(Predicted)
• Flash Point: 64 °C
• PSA: 21.70000
• Density: 0.939 g/cm³
• LogP: 1.80930
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 201.172878976
• Heavy Atom Count: 14
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Piperidineacetaldehyde diethyl acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(CN1CCCCC1)OCC
• Uses: Reactant for:? ;Ethylene trimerisation1? ;Synthesis of aryl-substituted piperidines by superacid activation of piperidones2? ;Studies involving elimination reactions3 Reactant for:Ethylene trimerisationSynthesis of aryl-substituted piperidines by superacid activation of piperidonesStudies involving elimination reactions

Technology Process of 1-(2,2-Diethoxyethyl)piperidine

There total 3 articles about 1-(2,2-Diethoxyethyl)piperidine 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: 83.0%

piperidine (110-89-4) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 1-piperidinyl-acetaldehyde diethyl acetal (3616-58-8)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 110 ℃; for 10h;

DOI:10.1039/b909685j

Reference yield:

piperidine (110-89-4) + chloroacetaldehyde diethyl acetal (621-62-5) → 1-piperidinyl-acetaldehyde diethyl acetal (3616-58-8)

Guidance literature:

Reference yield:

→ 1-piperidinyl-acetaldehyde diethyl acetal (3616-58-8)

Guidance literature:

Bromacetaldehyd-diaethylacetal, Piperidin;

upstream raw materials:

piperidine

Bromoacetaldehyde diethyl acetal

chloroacetaldehyde diethyl acetal

Downstream raw materials:

1-(β-ethoxy-phenethyl)-1-methyl-piperidinium; iodide

NSC 45070

2-(4-Dicyanomethyl-phenyl)-malononitrile

2-(piperidin-1-yl)acetaldehyde

Refernces

• 1、 Zhang, Jun,Li, Aifang,Hor, T. S. Andy. "Ligand effect on ethylene trimerisation with [NNN]-heteroscorpionate pyrazolyl Cr(III) catalysts". experimental part. p. 9327 - 9333. Retrieved 2010/02/16.